Peptaibol Bergofungin A
type: datablock
alternative label: 5MAS
link to mmcif: 5MAS.cif.gz
link to pdbml: 5MAS.xml.gz
link to pdbml noatom: 5MAS-noatom.xml.gz
link to pdbml extatom: 5MAS-extatom.xml.gz
link to doi: doi:10.2210/pdb5MAS/pdb
datablock name: 5MAS-noatom
has atom sites category: atom sitesCategory
has atom type category: atom typeCategory
has audit author category: audit authorCategory
has audit conform category: audit conformCategory
has cell category: cellCategory
has chem comp category: chem compCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
has diffrn category: diffrnCategory
has diffrn detector category: diffrn detectorCategory
has diffrn radiation category: diffrn radiationCategory
has diffrn radiation wavelength category: diffrn radiation wavelengthCategory
has diffrn source category: diffrn sourceCategory
has entity category: entityCategory
has entity poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
has entity src nat category: entity src natCategory
has entry category: entryCategory
has exptl category: exptlCategory
has exptl crystal category: exptl crystalCategory
has exptl crystal grow category: exptl crystal growCategory
has pdbx audit revision details category: pdbx audit revision detailsCategory
has pdbx audit revision group category: pdbx audit revision groupCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity nonpoly category: pdbx entity nonpolyCategory
has pdbx nonpoly scheme category: pdbx nonpoly schemeCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx refine category: pdbx refineCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct assembly prop category: pdbx struct assembly propCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has refine category: refineCategory
has refine analyze category: refine analyzeCategory
has refine hist category: refine histCategory
has reflns category: reflnsCategory
has reflns shell category: reflns shellCategory
has software category: softwareCategory
has struct category: structCategory
has struct asym category: struct asymCategory
has struct conf category: struct confCategory
has struct conf type category: struct conf typeCategory
has struct conn category: struct connCategory
has struct conn type category: struct conn typeCategory
has struct keywords category: struct keywordsCategory
has struct ref category: struct refCategory
has struct ref seq category: struct ref seqCategory
has symmetry category: symmetryCategory

5MAS
type: atom sites
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
atom sites.entry id: 5MAS
atom sites.fract transf matrix11: 0.020715
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0.011827
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.111957
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.046802
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

5MAS
referenced by atom sites: 5MAS
referenced by cell: 5MAS
type: entry
of datablock: Peptaibol Bergofungin A
entry.id: 5MAS
referenced by exptl: 5MAS,X-RAY DIFFRACTION
referenced by refine: 5MAS,X-RAY DIFFRACTION
referenced by refine analyze: 5MAS,X-RAY DIFFRACTION
referenced by reflns: http://rdf.wwpdb.org/pdb/5MAS/reflns/1
referenced by struct: 5MAS
referenced by struct keywords: 5MAS
referenced by symmetry: 5MAS
referenced by pdbx database status: 5MAS
referenced by pdbx refine: 5MAS,X-RAY DIFFRACTION

http://rdf.wwpdb.org/pdb/5MAS/atom_type/C
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: C

CL
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: CL

CR
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: CR

http://rdf.wwpdb.org/pdb/5MAS/atom_type/H
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: H

http://rdf.wwpdb.org/pdb/5MAS/atom_type/N
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: N

http://rdf.wwpdb.org/pdb/5MAS/atom_type/O
type: atom type
of datablock: Peptaibol Bergofungin A
atom type.symbol: O

http://rdf.wwpdb.org/pdb/5MAS/audit_author/1
type: audit author
of datablock: Peptaibol Bergofungin A
audit author.pdbx ordinal: 1
audit author.name: Gessmann, R.

http://rdf.wwpdb.org/pdb/5MAS/audit_author/2
type: audit author
of datablock: Peptaibol Bergofungin A
audit author.pdbx ordinal: 2
audit author.name: Petratos, K.

mmcif pdbx.dic,5.279
type: audit conform
of datablock: Peptaibol Bergofungin A
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.279
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

5MAS
type: cell
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
cell.entry id: 5MAS
cell.z PDB: 4
cell.angle alpha: 90
cell.angle beta: 119.72
cell.angle gamma: 90
cell.length a: 48.275
cell.length b: 8.932
cell.length c: 24.604

ACE
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: ACE
chem comp.formula: C2 H4 O
chem comp.formula weight: 44.053
chem comp.name: ACETYL GROUP
chem comp.type: non-polymer
link to chem comp: ACE
referenced by entity poly seq: 1,ACE,1

AIB
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: AIB
chem comp.formula: C4 H9 N O2
chem comp.formula weight: 103.12
chem comp.mon nstd flag: n
chem comp.name: ALPHA-AMINOISOBUTYRIC ACID
chem comp.type: L-peptide linking
link to chem comp: AIB
referenced by entity poly seq: 1,AIB,15
referenced by entity poly seq: 1,AIB,3
referenced by entity poly seq: 1,AIB,4
referenced by entity poly seq: 1,AIB,5
referenced by entity poly seq: 1,AIB,9
referenced by entity poly seq: 1,AIB,10

DIV
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: DIV
chem comp.formula: C5 H11 N O2
chem comp.formula weight: 117.146
chem comp.name: D-ISOVALINE
chem comp.type: D-peptide linking
link to chem comp: DIV
referenced by entity poly seq: 1,DIV,13

GLN
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: GLN
chem comp.formula: C5 H10 N2 O3
chem comp.formula weight: 146.144
chem comp.mon nstd flag: y
chem comp.name: GLUTAMINE
chem comp.type: L-peptide linking
link to chem comp: GLN
referenced by entity poly seq: 1,GLN,12

GLY
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: GLY
chem comp.formula: C2 H5 N O2
chem comp.formula weight: 75.067
chem comp.mon nstd flag: y
chem comp.name: GLYCINE
chem comp.type: peptide linking
link to chem comp: GLY
referenced by entity poly seq: 1,GLY,7

HOH
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: HOH
chem comp.formula: H2 O
chem comp.formula weight: 18.015
chem comp.name: WATER
chem comp.type: non-polymer
link to chem comp: HOH

HYP
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: HYP
chem comp.formula: C5 H9 N O3
chem comp.formula weight: 131.13
chem comp.mon nstd flag: n
chem comp.name: 4-HYDROXYPROLINE
chem comp.pdbx synonyms: HYDROXYPROLINE
chem comp.type: L-peptide linking
link to chem comp: HYP
referenced by entity poly seq: 1,HYP,14
referenced by entity poly seq: 1,HYP,11

LEU
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: LEU
chem comp.formula: C6 H13 N O2
chem comp.formula weight: 131.173
chem comp.mon nstd flag: y
chem comp.name: LEUCINE
chem comp.type: L-peptide linking
link to chem comp: LEU
referenced by entity poly seq: 1,LEU,8

PHL
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: PHL
chem comp.formula: C9 H13 N O
chem comp.formula weight: 151.206
chem comp.mon nstd flag: n
chem comp.name: L-PHENYLALANINOL
chem comp.type: L-peptide linking
link to chem comp: PHL
referenced by entity poly seq: 1,PHL,16

VAL
type: chem comp
of datablock: Peptaibol Bergofungin A
chem comp.id: VAL
chem comp.formula: C5 H11 N O2
chem comp.formula weight: 117.146
chem comp.mon nstd flag: y
chem comp.name: VALINE
chem comp.type: L-peptide linking
link to chem comp: VAL
referenced by entity poly seq: 1,VAL,6
referenced by entity poly seq: 1,VAL,2

primary
type: citation
of datablock: Peptaibol Bergofungin A
citation.id: primary
citation.country: US
citation.journal abbrev: Acta Crystallogr F Struct Biol Commun
citation.journal id ASTM: ACSFEN
citation.journal id ISSN: 2053-230X
citation.journal volume: 73
citation.page first: 95
citation.page last: 100
citation.pdbx database id DOI: 10.1107/S2053230X17001236
citation.pdbx database id pub med: 28177320
citation.title: A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution.
citation.year: 2017
link to doi: doi:10.1107/S2053230X17001236
link to pubmed: pubmed:28177320
references: pubmed:28177320
referenced by citation author: primary,Petratos, K.,5
referenced by citation author: primary,Gessmann, R.,1
referenced by citation author: primary,Axford, D.,2
referenced by citation author: primary,Bruckner, H.,3
referenced by citation author: primary,Berg, A.,4

primary,Gessmann, R.,1
type: citation author
of datablock: Peptaibol Bergofungin A
reference to citation: primary
citation author.citation id: primary
citation author.name: Gessmann, R.
citation author.ordinal: 1

primary,Axford, D.,2
type: citation author
of datablock: Peptaibol Bergofungin A
reference to citation: primary
citation author.citation id: primary
citation author.name: Axford, D.
citation author.ordinal: 2

primary,Bruckner, H.,3
type: citation author
of datablock: Peptaibol Bergofungin A
reference to citation: primary
citation author.citation id: primary
citation author.name: Bruckner, H.
citation author.ordinal: 3

primary,Berg, A.,4
type: citation author
of datablock: Peptaibol Bergofungin A
reference to citation: primary
citation author.citation id: primary
citation author.name: Berg, A.
citation author.ordinal: 4

primary,Petratos, K.,5
type: citation author
of datablock: Peptaibol Bergofungin A
reference to citation: primary
citation author.citation id: primary
citation author.name: Petratos, K.
citation author.ordinal: 5

5MAS,PDB
type: database 2
of datablock: Peptaibol Bergofungin A
database 2.database code: 5MAS
database 2.database id: PDB

D 1200002201,WWPDB
type: database 2
of datablock: Peptaibol Bergofungin A
database 2.database code: D_1200002201
database 2.database id: WWPDB

http://rdf.wwpdb.org/pdb/5MAS/diffrn/1
type: diffrn
of datablock: Peptaibol Bergofungin A
reference to exptl crystal: http://rdf.wwpdb.org/pdb/5MAS/exptl_crystal/1
diffrn.id: 1
diffrn.ambient temp: 100
diffrn.crystal id: 1
referenced by diffrn detector: http://rdf.wwpdb.org/pdb/5MAS/diffrn_detector/1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/5MAS/diffrn_radiation/1
referenced by diffrn source: http://rdf.wwpdb.org/pdb/5MAS/diffrn_source/1

http://rdf.wwpdb.org/pdb/5MAS/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/5MAS/diffrn/1
type: exptl crystal
of datablock: Peptaibol Bergofungin A
exptl crystal.id: 1
exptl crystal.density matthews: 1.53
exptl crystal.density percent sol: 19.38
exptl crystal.description: tiny hair
referenced by exptl crystal grow: http://rdf.wwpdb.org/pdb/5MAS/exptl_crystal_grow/1

http://rdf.wwpdb.org/pdb/5MAS/diffrn_detector/1
type: diffrn detector
of datablock: Peptaibol Bergofungin A
reference to diffrn: http://rdf.wwpdb.org/pdb/5MAS/diffrn/1
diffrn detector.diffrn id: 1
diffrn detector.detector: PIXEL
diffrn detector.pdbx collection date: 2016-07-30
diffrn detector.type: DECTRIS PILATUS 6M

http://rdf.wwpdb.org/pdb/5MAS/diffrn_radiation/1
type: diffrn radiation
of datablock: Peptaibol Bergofungin A
reference to diffrn: http://rdf.wwpdb.org/pdb/5MAS/diffrn/1
diffrn radiation.diffrn id: 1
diffrn radiation.monochromator: ACCEL FIXED EXIT DOUBLE CRYSTAL
diffrn radiation.pdbx diffrn protocol: SINGLE WAVELENGTH
diffrn radiation.pdbx monochromatic or laue m l: M
diffrn radiation.pdbx scattering type: x-ray
diffrn radiation.wavelength id: 1

http://rdf.wwpdb.org/pdb/5MAS/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: Peptaibol Bergofungin A
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wavelength: 0.7293
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/5MAS/diffrn_source/1
type: diffrn source
of datablock: Peptaibol Bergofungin A
reference to diffrn: http://rdf.wwpdb.org/pdb/5MAS/diffrn/1
diffrn source.diffrn id: 1
diffrn source.pdbx synchrotron beamline: I24
diffrn source.pdbx synchrotron site: Diamond
diffrn source.pdbx wavelength list: 0.7293
diffrn source.source: SYNCHROTRON
diffrn source.type: DIAMOND BEAMLINE I24

http://rdf.wwpdb.org/pdb/5MAS/entity/1
type: entity
of datablock: Peptaibol Bergofungin A
entity.id: 1
entity.details: NOR00964 in norine database (http://bioinfo.lifl.fr/norine/form.jsp)
entity.formula weight: 1509.833
entity.pdbx description: Bergofungin A
entity.pdbx number of molecules: 1
entity.src method: nat
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/5MAS/struct_ref/1
referenced by entity src nat: 1,1

http://rdf.wwpdb.org/pdb/5MAS/entity/2
type: entity
of datablock: Peptaibol Bergofungin A
entity.id: 2
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 1
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/5MAS/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
type: entity poly
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code can: XVAAAVGLAAPQVPAF
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,PHL,16
referenced by entity poly seq: 1,ACE,1
referenced by entity poly seq: 1,VAL,2
referenced by entity poly seq: 1,AIB,3
referenced by entity poly seq: 1,AIB,4
referenced by entity poly seq: 1,AIB,5
referenced by entity poly seq: 1,VAL,6
referenced by entity poly seq: 1,GLY,7
referenced by entity poly seq: 1,LEU,8
referenced by entity poly seq: 1,AIB,9
referenced by entity poly seq: 1,AIB,10
referenced by entity poly seq: 1,HYP,11
referenced by entity poly seq: 1,GLN,12
referenced by entity poly seq: 1,DIV,13
referenced by entity poly seq: 1,HYP,14
referenced by entity poly seq: 1,AIB,15

1,ACE,1
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: ACE
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ACE
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ACE,1

1,VAL,2
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,2

1,AIB,3
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,3

1,AIB,4
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,4

1,AIB,5
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,5

1,VAL,6
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,6

1,GLY,7
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,7

1,LEU,8
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LEU
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LEU,8

1,AIB,9
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,9

1,AIB,10
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,10

1,HYP,11
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: HYP
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HYP
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HYP,11

1,GLN,12
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,12

1,DIV,13
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: DIV
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DIV
entity poly seq.num: 13
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DIV,13

1,HYP,14
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: HYP
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HYP
entity poly seq.num: 14
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HYP,14

1,AIB,15
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: AIB
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: AIB
entity poly seq.num: 15
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,AIB,15

1,PHL,16
type: entity poly seq
of datablock: Peptaibol Bergofungin A
reference to chem comp: PHL
reference to entity poly: http://rdf.wwpdb.org/pdb/5MAS/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHL
entity poly seq.num: 16
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHL,16

1,1
type: entity src nat
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/1
entity src nat.entity id: 1
entity src nat.pdbx src id: 1
entity src nat.pdbx alt source flag: sample
entity src nat.pdbx beg seq num: 1
entity src nat.pdbx end seq num: 16
entity src nat.pdbx ncbi taxonomy id: 281368
entity src nat.pdbx organism scientific: Emericellopsis donezkii
link to taxonomy source: taxonomy:281368

taxonomy:281368

5MAS,X-RAY DIFFRACTION
type: exptl
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
exptl.entry id: 5MAS
exptl.method: X-RAY DIFFRACTION
exptl.crystals number: 1

http://rdf.wwpdb.org/pdb/5MAS/exptl_crystal_grow/1
type: exptl crystal grow
of datablock: Peptaibol Bergofungin A
reference to exptl crystal: http://rdf.wwpdb.org/pdb/5MAS/exptl_crystal/1
exptl crystal grow.crystal id: 1
exptl crystal grow.method: EVAPORATION
exptl crystal grow.pdbx details: methanol/water
exptl crystal grow.temp: 293

Structure model,1,1
type: pdbx audit revision details
of datablock: Peptaibol Bergofungin A
reference to pdbx audit revision history: Structure model,1
pdbx audit revision details.data content type: Structure model
pdbx audit revision details.ordinal: 1
pdbx audit revision details.revision ordinal: 1
pdbx audit revision details.provider: repository
pdbx audit revision details.type: Initial release

Structure model,1
referenced by pdbx audit revision details: Structure model,1,1
type: pdbx audit revision history
of datablock: Peptaibol Bergofungin A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 1
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 0
pdbx audit revision history.revision date: 2017-02-22

Structure model,1,2
type: pdbx audit revision group
of datablock: Peptaibol Bergofungin A
reference to pdbx audit revision history: Structure model,2
pdbx audit revision group.data content type: Structure model
pdbx audit revision group.ordinal: 1
pdbx audit revision group.revision ordinal: 2
pdbx audit revision group.group: Database references

Structure model,2
referenced by pdbx audit revision group: Structure model,1,2
type: pdbx audit revision history
of datablock: Peptaibol Bergofungin A
pdbx audit revision history.data content type: Structure model
pdbx audit revision history.ordinal: 2
pdbx audit revision history.major revision: 1
pdbx audit revision history.minor revision: 1
pdbx audit revision history.revision date: 2017-03-01

unspecified,4G13,PDB
type: pdbx database related
of datablock: Peptaibol Bergofungin A
pdbx database related.content type: unspecified
pdbx database related.db id: 4G13
pdbx database related.db name: PDB

unspecified,4G14,PDB
type: pdbx database related
of datablock: Peptaibol Bergofungin A
pdbx database related.content type: unspecified
pdbx database related.db id: 4G14
pdbx database related.db name: PDB

5MAS
type: pdbx database status
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
pdbx database status.entry id: 5MAS
pdbx database status.sg entry: N
pdbx database status.deposit site: PDBE
pdbx database status.pdb format compatible: Y
pdbx database status.process site: PDBE
pdbx database status.recvd initial deposition date: 2016-11-04
pdbx database status.status code: REL
pdbx database status.status code sf: REL

http://rdf.wwpdb.org/pdb/5MAS/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/2
pdbx entity nonpoly.entity id: 2
pdbx entity nonpoly.comp id: HOH
pdbx entity nonpoly.name: water

B,1
type: pdbx nonpoly scheme
of datablock: Peptaibol Bergofungin A
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 1
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 16
pdbx nonpoly scheme.entity id: 2
pdbx nonpoly scheme.mon id: HOH
pdbx nonpoly scheme.pdb mon id: HOH
pdbx nonpoly scheme.pdb seq num: 101
pdbx nonpoly scheme.pdb strand id: A

A,1,ACE,1
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,ACE,1
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ACE
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: ACE
pdbx poly seq scheme.auth seq num: 0
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: ACE
pdbx poly seq scheme.pdb seq num: 0
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
referenced by pdbx poly seq scheme: A,1,ACE,1
referenced by pdbx poly seq scheme: A,1,VAL,2
referenced by pdbx poly seq scheme: A,1,AIB,3
referenced by pdbx poly seq scheme: A,1,AIB,4
referenced by pdbx poly seq scheme: A,1,AIB,5
referenced by pdbx poly seq scheme: A,1,VAL,6
referenced by pdbx poly seq scheme: A,1,GLY,7
referenced by pdbx poly seq scheme: A,1,LEU,8
referenced by pdbx poly seq scheme: A,1,AIB,9
referenced by pdbx poly seq scheme: A,1,AIB,10
referenced by pdbx poly seq scheme: A,1,HYP,11
referenced by pdbx poly seq scheme: A,1,GLN,12
referenced by pdbx poly seq scheme: A,1,DIV,13
referenced by pdbx poly seq scheme: A,1,HYP,14
referenced by pdbx poly seq scheme: A,1,AIB,15
referenced by pdbx poly seq scheme: A,1,PHL,16
type: struct asym
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/1
struct asym.id: A
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

A,1,VAL,2
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,VAL,2
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,3
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,3
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,4
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,4
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,5
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,5
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,6
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,VAL,6
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: VAL
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,7
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,GLY,7
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLY
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,8
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,LEU,8
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LEU
pdbx poly seq scheme.seq id: 8
pdbx poly seq scheme.auth mon id: LEU
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: LEU
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,9
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,9
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,10
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,10
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,HYP,11
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,HYP,11
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HYP
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.auth mon id: HYP
pdbx poly seq scheme.auth seq num: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb mon id: HYP
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,12
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,GLN,12
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: GLN
pdbx poly seq scheme.seq id: 12
pdbx poly seq scheme.auth mon id: GLN
pdbx poly seq scheme.auth seq num: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb mon id: GLN
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,DIV,13
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,DIV,13
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DIV
pdbx poly seq scheme.seq id: 13
pdbx poly seq scheme.auth mon id: DIV
pdbx poly seq scheme.auth seq num: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 13
pdbx poly seq scheme.pdb mon id: DIV
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

A,1,HYP,14
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,HYP,14
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HYP
pdbx poly seq scheme.seq id: 14
pdbx poly seq scheme.auth mon id: HYP
pdbx poly seq scheme.auth seq num: 13
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 14
pdbx poly seq scheme.pdb mon id: HYP
pdbx poly seq scheme.pdb seq num: 13
pdbx poly seq scheme.pdb strand id: A

A,1,AIB,15
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,AIB,15
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: AIB
pdbx poly seq scheme.seq id: 15
pdbx poly seq scheme.auth mon id: AIB
pdbx poly seq scheme.auth seq num: 14
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 15
pdbx poly seq scheme.pdb mon id: AIB
pdbx poly seq scheme.pdb seq num: 14
pdbx poly seq scheme.pdb strand id: A

A,1,PHL,16
type: pdbx poly seq scheme
of datablock: Peptaibol Bergofungin A
reference to entity poly seq: 1,PHL,16
reference to struct asym: http://rdf.wwpdb.org/pdb/5MAS/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHL
pdbx poly seq scheme.seq id: 16
pdbx poly seq scheme.auth mon id: PHL
pdbx poly seq scheme.auth seq num: 15
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 16
pdbx poly seq scheme.pdb mon id: PHL
pdbx poly seq scheme.pdb seq num: 15
pdbx poly seq scheme.pdb strand id: A

5MAS,X-RAY DIFFRACTION
type: pdbx refine
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
pdbx refine.entry id: 5MAS
pdbx refine.pdbx refine id: X-RAY DIFFRACTION
pdbx refine.r factor all 4sig cutoff: 0.068
pdbx refine.r factor all no cutoff: 0.104
pdbx refine.r factor obs 4sig cutoff: 0.067
pdbx refine.r factor obs no cutoff: 0.103
pdbx refine.free r factor 4sig cutoff: 0.088
pdbx refine.free r factor no cutoff: 0.131
pdbx refine.free r val test set ct 4sig cutoff: 444
pdbx refine.free r val test set ct no cutoff: 660
pdbx refine.free r val test set size perc 4sig cutoff: 5
pdbx refine.free r val test set size perc no cutoff: 5
pdbx refine.number reflns obs 4sig cutoff: 7756

http://rdf.wwpdb.org/pdb/5MAS/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Peptaibol Bergofungin A
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_and_software_defined_assembly
pdbx struct assembly.method details: PISA
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,B,1

1,A,B,1
type: pdbx struct assembly gen
of datablock: Peptaibol Bergofungin A
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/5MAS/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A,B
pdbx struct assembly gen.oper expression: 1

1,ABSA (A^2)
type: pdbx struct assembly prop
of datablock: Peptaibol Bergofungin A
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: ABSA (A^2)
pdbx struct assembly prop.value: 90

1,MORE
type: pdbx struct assembly prop
of datablock: Peptaibol Bergofungin A
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: MORE
pdbx struct assembly prop.value: -1

1,SSA (A^2)
type: pdbx struct assembly prop
of datablock: Peptaibol Bergofungin A
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: SSA (A^2)
pdbx struct assembly prop.value: 1600

http://rdf.wwpdb.org/pdb/5MAS/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Peptaibol Bergofungin A
pdbx struct oper list.id: 1
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_555
pdbx struct oper list.symmetry operation: x,y,z
pdbx struct oper list.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

5MAS,X-RAY DIFFRACTION
type: refine
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
refine.entry id: 5MAS
refine.pdbx refine id: X-RAY DIFFRACTION
refine.ls r factor r free: 0.131
refine.ls r factor all: 0.104
refine.ls r factor obs: 0.103
refine.ls d res high: 0.84
refine.ls d res low: 30
refine.ls number parameters: 985
refine.ls number reflns r free: 660
refine.ls number reflns all: 12250
refine.ls number reflns obs: 11590
refine.ls number restraints: 1
refine.ls percent reflns r free: 5
refine.ls percent reflns obs: 84.3
refine.pdbx r free selection details: THIN RESOLUTION SHELLS
refine.pdbx diffrn id: 1
refine.pdbx ls cross valid method: FREE R-VALUE
refine.pdbx method to determine struct: AB INITIO PHASING
refine.pdbx stereochemistry target values: ENGH & HUBER
refine.solvent model details: PLATON SQUEEZE

5MAS,X-RAY DIFFRACTION
type: refine analyze
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
refine analyze.entry id: 5MAS
refine analyze.pdbx refine id: X-RAY DIFFRACTION
refine analyze.occupancy sum hydrogen: 120
refine analyze.occupancy sum non hydrogen: 108.5

LAST,X-RAY DIFFRACTION
type: refine hist
of datablock: Peptaibol Bergofungin A
refine hist.cycle id: LAST
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 0.84
refine hist.d res low: 30
refine hist.number atoms solvent: 1
refine hist.number atoms total: 109
refine hist.pdbx number atoms ligand: 0
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 108

http://rdf.wwpdb.org/pdb/5MAS/reflns/1
type: reflns
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
reflns.pdbx ordinal: 1
reflns.d resolution high: 0.84
reflns.d resolution low: 30
reflns.entry id: 5MAS
reflns.number obs: 12250
reflns.pdbx rmerge i obs: 0.095
reflns.pdbx rsym value: 0.09
reflns.pdbx diffrn id: 1
reflns.pdbx net i over sigma i: 4.7
reflns.pdbx redundancy: 1.65
reflns.percent possible obs: 84.3

http://rdf.wwpdb.org/pdb/5MAS/reflns_shell/1
type: reflns shell
of datablock: Peptaibol Bergofungin A
reflns shell.pdbx ordinal: 1
reflns shell.rmerge i obs: 0.35
reflns shell.d res high: 0.84
reflns shell.d res low: 0.94
reflns shell.mean i over sig i obs: 1.72
reflns shell.pdbx diffrn id: 1
reflns shell.pdbx redundancy: 0.94
reflns shell.percent possible all: 52.8

http://rdf.wwpdb.org/pdb/5MAS/software/1
type: software
of datablock: Peptaibol Bergofungin A
software.pdbx ordinal: 1
software.classification: refinement
software.name: SHELXL
software.version: 2014/3

http://rdf.wwpdb.org/pdb/5MAS/software/2
type: software
of datablock: Peptaibol Bergofungin A
software.pdbx ordinal: 2
software.classification: data reduction
software.name: XDS

http://rdf.wwpdb.org/pdb/5MAS/software/3
type: software
of datablock: Peptaibol Bergofungin A
software.pdbx ordinal: 3
software.classification: phasing
software.name: SHELXS
software.version: 2013/1

http://rdf.wwpdb.org/pdb/5MAS/software/4
type: software
of datablock: Peptaibol Bergofungin A
software.pdbx ordinal: 4
software.classification: data scaling
software.name: SCALA

5MAS
type: struct
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
struct.entry id: 5MAS
struct.pdbx CASP flag: N
struct.pdbx descriptor: Bergofungin
struct.title: Peptaibol Bergofungin A

http://rdf.wwpdb.org/pdb/5MAS/struct_asym/B
type: struct asym
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/2
struct asym.id: B
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

HELX P1
type: struct conf
of datablock: Peptaibol Bergofungin A
reference to struct conf type: HELX P
struct conf.id: HELX_P1
struct conf.beg auth asym id: A
struct conf.beg auth comp id: VAL
struct conf.beg auth seq id: 1
struct conf.beg label asym id: A
struct conf.beg label comp id: VAL
struct conf.beg label seq id: 2
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: HYP
struct conf.end auth seq id: 10
struct conf.end label asym id: A
struct conf.end label comp id: HYP
struct conf.end label seq id: 11
struct conf.pdbx PDB helix class: 1
struct conf.pdbx PDB helix id: AA1
struct conf.pdbx PDB helix length: 10

HELX P
referenced by struct conf: HELX P1
referenced by struct conf: HELX P2
type: struct conf type
of datablock: Peptaibol Bergofungin A
struct conf type.id: HELX_P

HELX P2
type: struct conf
of datablock: Peptaibol Bergofungin A
reference to struct conf type: HELX P
struct conf.id: HELX_P2
struct conf.beg auth asym id: A
struct conf.beg auth comp id: GLN
struct conf.beg auth seq id: 11
struct conf.beg label asym id: A
struct conf.beg label comp id: GLN
struct conf.beg label seq id: 12
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: PHL
struct conf.end auth seq id: 15
struct conf.end label asym id: A
struct conf.end label comp id: PHL
struct conf.end label seq id: 16
struct conf.pdbx PDB helix class: 5
struct conf.pdbx PDB helix id: AA2
struct conf.pdbx PDB helix length: 5

covale1
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.336
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: ACE
struct conn.ptnr1 auth seq id: 0
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: ACE
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: VAL
struct conn.ptnr2 auth seq id: 1
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: VAL
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
referenced by struct conn: covale4
referenced by struct conn: covale5
referenced by struct conn: covale6
referenced by struct conn: covale7
referenced by struct conn: covale8
referenced by struct conn: covale9
referenced by struct conn: covale10
referenced by struct conn: covale11
referenced by struct conn: covale12
referenced by struct conn: covale13
type: struct conn type
of datablock: Peptaibol Bergofungin A
struct conn type.id: covale

covale2
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.335
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: VAL
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: VAL
struct conn.ptnr1 label seq id: 2
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 2
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 3
struct conn.ptnr2 symmetry: 1_555

covale3
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.327
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 2
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 3
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 3
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 4
struct conn.ptnr2 symmetry: 1_555

covale4
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale4
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.338
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 4
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 4
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 5
struct conn.ptnr2 symmetry: 1_555

covale5
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale5
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.353
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 4
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 5
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: VAL
struct conn.ptnr2 auth seq id: 5
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: VAL
struct conn.ptnr2 label seq id: 6
struct conn.ptnr2 symmetry: 1_555

covale6
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale6
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.355
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: LEU
struct conn.ptnr1 auth seq id: 7
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: LEU
struct conn.ptnr1 label seq id: 8
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 8
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 9
struct conn.ptnr2 symmetry: 1_555

covale7
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale7
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.349
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 8
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 9
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 9
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 10
struct conn.ptnr2 symmetry: 1_555

covale8
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale8
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.346
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 9
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 10
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: HYP
struct conn.ptnr2 auth seq id: 10
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: HYP
struct conn.ptnr2 label seq id: 11
struct conn.ptnr2 symmetry: 1_555

covale9
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale9
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.359
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: HYP
struct conn.ptnr1 auth seq id: 10
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: HYP
struct conn.ptnr1 label seq id: 11
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: GLN
struct conn.ptnr2 auth seq id: 11
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: GLN
struct conn.ptnr2 label seq id: 12
struct conn.ptnr2 symmetry: 1_555

covale10
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale10
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.329
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: GLN
struct conn.ptnr1 auth seq id: 11
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: GLN
struct conn.ptnr1 label seq id: 12
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DIV
struct conn.ptnr2 auth seq id: 12
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DIV
struct conn.ptnr2 label seq id: 13
struct conn.ptnr2 symmetry: 1_555

covale11
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale11
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.35
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DIV
struct conn.ptnr1 auth seq id: 12
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DIV
struct conn.ptnr1 label seq id: 13
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: HYP
struct conn.ptnr2 auth seq id: 13
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: HYP
struct conn.ptnr2 label seq id: 14
struct conn.ptnr2 symmetry: 1_555

covale12
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale12
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.354
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: HYP
struct conn.ptnr1 auth seq id: 13
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: HYP
struct conn.ptnr1 label seq id: 14
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: AIB
struct conn.ptnr2 auth seq id: 14
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: AIB
struct conn.ptnr2 label seq id: 15
struct conn.ptnr2 symmetry: 1_555

covale13
type: struct conn
of datablock: Peptaibol Bergofungin A
reference to struct conn type: covale
struct conn.id: covale13
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.318
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: AIB
struct conn.ptnr1 auth seq id: 14
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: AIB
struct conn.ptnr1 label seq id: 15
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: PHL
struct conn.ptnr2 auth seq id: 15
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: PHL
struct conn.ptnr2 label seq id: 16
struct conn.ptnr2 symmetry: 1_555

5MAS
type: struct keywords
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
struct keywords.entry id: 5MAS
struct keywords.pdbx keywords: ANTIBIOTIC
struct keywords.text: 3(10)-helix, peptaibols, antibiotic peptides, alpha-helix, antibiotic

http://rdf.wwpdb.org/pdb/5MAS/struct_ref/1
type: struct ref
of datablock: Peptaibol Bergofungin A
reference to entity: http://rdf.wwpdb.org/pdb/5MAS/entity/1
struct ref.id: 1
struct ref.db code: 5MAS
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 5MAS
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/5MAS/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/5MAS/struct_ref_seq/1
type: struct ref seq
of datablock: Peptaibol Bergofungin A
reference to struct ref: http://rdf.wwpdb.org/pdb/5MAS/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 0
struct ref seq.db align end: 15
struct ref seq.pdbx PDB id code: 5MAS
struct ref seq.pdbx auth seq align beg: 0
struct ref seq.pdbx auth seq align end: 15
struct ref seq.pdbx db accession: 5MAS
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 16

5MAS
type: symmetry
of datablock: Peptaibol Bergofungin A
reference to entry: 5MAS
symmetry.entry id: 5MAS
symmetry.int tables number: 5
symmetry.space group name H-M: C 1 2 1