Solution structure of arenicin-3 derivative N1
type: datablock
alternative label: 5Y0I
link to mmcif: 5Y0I.cif.gz
link to pdbml: 5Y0I.xml.gz
link to pdbml noatom: 5Y0I-noatom.xml.gz
link to pdbml extatom: 5Y0I-extatom.xml.gz
link to doi: doi:10.2210/pdb5Y0I/pdb
datablock name: 5Y0I-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 chem comp category: chem compCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
has entity category: entityCategory
has entity poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has exptl category: exptlCategory
has pdbx audit revision details category: pdbx audit revision detailsCategory
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 src syn category: pdbx entity src synCategory
has pdbx nmr ensemble category: pdbx nmr ensembleCategory
has pdbx nmr exptl category: pdbx nmr exptlCategory
has pdbx nmr exptl sample category: pdbx nmr exptl sampleCategory
has pdbx nmr exptl sample conditions category: pdbx nmr exptl sample conditionsCategory
has pdbx nmr refine category: pdbx nmr refineCategory
has pdbx nmr representative category: pdbx nmr representativeCategory
has pdbx nmr sample details category: pdbx nmr sample detailsCategory
has pdbx nmr software category: pdbx nmr softwareCategory
has pdbx nmr spectrometer category: pdbx nmr spectrometerCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly auth evidence category: pdbx struct assembly auth evidenceCategory
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 pdbx struct sheet hbond category: pdbx struct sheet hbondCategory
has pdbx validate close contact category: pdbx validate close contactCategory
has pdbx validate torsion category: pdbx validate torsionCategory
has struct category: structCategory
has struct asym category: struct asymCategory
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 struct sheet category: struct sheetCategory
has struct sheet order category: struct sheet orderCategory
has struct sheet range category: struct sheet rangeCategory

5Y0I
type: atom sites
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
atom sites.entry id: 5Y0I
atom sites.fract transf matrix11: 1
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 1
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 1
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

5Y0I
referenced by atom sites: 5Y0I
type: entry
of datablock: Solution structure of arenicin-3 derivative N1
entry.id: 5Y0I
referenced by exptl: 5Y0I,SOLUTION NMR
referenced by struct: 5Y0I
referenced by struct keywords: 5Y0I
referenced by pdbx database status: 5Y0I
referenced by pdbx nmr ensemble: 5Y0I
referenced by pdbx nmr representative: 5Y0I
referenced by pdbx nmr refine: 5Y0I,3

http://rdf.wwpdb.org/pdb/5Y0I/atom_type/C
type: atom type
of datablock: Solution structure of arenicin-3 derivative N1
atom type.symbol: C

http://rdf.wwpdb.org/pdb/5Y0I/atom_type/H
type: atom type
of datablock: Solution structure of arenicin-3 derivative N1
atom type.symbol: H

http://rdf.wwpdb.org/pdb/5Y0I/atom_type/N
type: atom type
of datablock: Solution structure of arenicin-3 derivative N1
atom type.symbol: N

http://rdf.wwpdb.org/pdb/5Y0I/atom_type/O
type: atom type
of datablock: Solution structure of arenicin-3 derivative N1
atom type.symbol: O

http://rdf.wwpdb.org/pdb/5Y0I/atom_type/S
type: atom type
of datablock: Solution structure of arenicin-3 derivative N1
atom type.symbol: S

http://rdf.wwpdb.org/pdb/5Y0I/audit_author/1
type: audit author
of datablock: Solution structure of arenicin-3 derivative N1
audit author.pdbx ordinal: 1
audit author.name: Liu, X.H.

http://rdf.wwpdb.org/pdb/5Y0I/audit_author/2
type: audit author
of datablock: Solution structure of arenicin-3 derivative N1
audit author.pdbx ordinal: 2
audit author.name: Wang, J.H.

mmcif pdbx.dic,5.281
type: audit conform
of datablock: Solution structure of arenicin-3 derivative N1
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.281
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

ARG
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: ARG
chem comp.formula: C6 H15 N4 O2 1
chem comp.formula weight: 175.209
chem comp.mon nstd flag: y
chem comp.name: ARGININE
chem comp.type: L-peptide linking
link to chem comp: ARG
referenced by entity poly seq: 1,ARG,19
referenced by entity poly seq: 1,ARG,10
referenced by entity poly seq: 1,ARG,14
referenced by entity poly seq: 1,ARG,18

ASN
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: ASN
chem comp.formula: C4 H8 N2 O3
chem comp.formula weight: 132.118
chem comp.mon nstd flag: y
chem comp.name: ASPARAGINE
chem comp.type: L-peptide linking
link to chem comp: ASN
referenced by entity poly seq: 1,ASN,21
referenced by entity poly seq: 1,ASN,5
referenced by entity poly seq: 1,ASN,11

CYS
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: CYS
chem comp.formula: C3 H7 N O2 S
chem comp.formula weight: 121.158
chem comp.mon nstd flag: y
chem comp.name: CYSTEINE
chem comp.type: L-peptide linking
link to chem comp: CYS
referenced by entity poly seq: 1,CYS,20
referenced by entity poly seq: 1,CYS,3
referenced by entity poly seq: 1,CYS,7
referenced by entity poly seq: 1,CYS,16

GLY
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
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,12
referenced by entity poly seq: 1,GLY,1

HIS
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: HIS
chem comp.formula: C6 H10 N3 O2 1
chem comp.formula weight: 156.162
chem comp.mon nstd flag: y
chem comp.name: HISTIDINE
chem comp.type: L-peptide linking
link to chem comp: HIS
referenced by entity poly seq: 1,HIS,17

PHE
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: PHE
chem comp.formula: C9 H11 N O2
chem comp.formula weight: 165.189
chem comp.mon nstd flag: y
chem comp.name: PHENYLALANINE
chem comp.type: L-peptide linking
link to chem comp: PHE
referenced by entity poly seq: 1,PHE,2

TRP
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: TRP
chem comp.formula: C11 H12 N2 O2
chem comp.formula weight: 204.225
chem comp.mon nstd flag: y
chem comp.name: TRYPTOPHAN
chem comp.type: L-peptide linking
link to chem comp: TRP
referenced by entity poly seq: 1,TRP,4

TYR
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
chem comp.id: TYR
chem comp.formula: C9 H11 N O3
chem comp.formula weight: 181.189
chem comp.mon nstd flag: y
chem comp.name: TYROSINE
chem comp.type: L-peptide linking
link to chem comp: TYR
referenced by entity poly seq: 1,TYR,9

VAL
type: chem comp
of datablock: Solution structure of arenicin-3 derivative N1
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,15
referenced by entity poly seq: 1,VAL,6
referenced by entity poly seq: 1,VAL,8
referenced by entity poly seq: 1,VAL,13

primary
type: citation
of datablock: Solution structure of arenicin-3 derivative N1
citation.id: primary
citation.country: UK
citation.journal abbrev: Sci Rep
citation.journal id ISSN: 2045-2322
citation.journal volume: 7
citation.page first: 3392
citation.page last: 3392
citation.pdbx database id DOI: 10.1038/s41598-017-03664-2
citation.pdbx database id pub med: 28611436
citation.title: Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
citation.year: 2017
link to doi: doi:10.1038/s41598-017-03664-2
link to pubmed: pubmed:28611436
references: pubmed:28611436
referenced by citation author: primary,Wang, J.,9
referenced by citation author: primary,Yang, N.,1
referenced by citation author: primary,Liu, X.,2
referenced by citation author: primary,Teng, D.,3
referenced by citation author: primary,Li, Z.,4
referenced by citation author: primary,Wang, X.,5
referenced by citation author: primary,Mao, R.,6
referenced by citation author: primary,Wang, X.M.,7
referenced by citation author: primary,Hao, Y.,8

primary,Yang, N.,1
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Yang, N.
citation author.ordinal: 1

primary,Liu, X.,2
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Liu, X.
citation author.ordinal: 2

primary,Teng, D.,3
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Teng, D.
citation author.ordinal: 3

primary,Li, Z.,4
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Li, Z.
citation author.ordinal: 4

primary,Wang, X.,5
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Wang, X.
citation author.ordinal: 5

primary,Mao, R.,6
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Mao, R.
citation author.ordinal: 6

primary,Wang, X.M.,7
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Wang, X.M.
citation author.ordinal: 7

primary,Hao, Y.,8
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Hao, Y.
citation author.ordinal: 8

primary,Wang, J.,9
type: citation author
of datablock: Solution structure of arenicin-3 derivative N1
reference to citation: primary
citation author.citation id: primary
citation author.name: Wang, J.
citation author.ordinal: 9

5Y0I,PDB
type: database 2
of datablock: Solution structure of arenicin-3 derivative N1
database 2.database code: 5Y0I
database 2.database id: PDB

D 1300004463,WWPDB
type: database 2
of datablock: Solution structure of arenicin-3 derivative N1
database 2.database code: D_1300004463
database 2.database id: WWPDB

36106,BMRB
type: database 2
of datablock: Solution structure of arenicin-3 derivative N1
database 2.database code: 36106
database 2.database id: BMRB

http://rdf.wwpdb.org/pdb/5Y0I/entity/1
type: entity
of datablock: Solution structure of arenicin-3 derivative N1
entity.id: 1
entity.formula weight: 2547.001
entity.pdbx description: NZ17074(N1)
entity.pdbx mutation: Y5N, Y17H
entity.pdbx number of molecules: 1
entity.src method: syn
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/5Y0I/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
type: entity poly
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity: http://rdf.wwpdb.org/pdb/5Y0I/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: no
entity poly.pdbx seq one letter code: GFCWNVCVYRNGVRVCHRRCN
entity poly.pdbx seq one letter code can: GFCWNVCVYRNGVRVCHRRCN
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,ASN,21
referenced by entity poly seq: 1,GLY,1
referenced by entity poly seq: 1,PHE,2
referenced by entity poly seq: 1,CYS,3
referenced by entity poly seq: 1,TRP,4
referenced by entity poly seq: 1,ASN,5
referenced by entity poly seq: 1,VAL,6
referenced by entity poly seq: 1,CYS,7
referenced by entity poly seq: 1,VAL,8
referenced by entity poly seq: 1,TYR,9
referenced by entity poly seq: 1,ARG,10
referenced by entity poly seq: 1,ASN,11
referenced by entity poly seq: 1,GLY,12
referenced by entity poly seq: 1,VAL,13
referenced by entity poly seq: 1,ARG,14
referenced by entity poly seq: 1,VAL,15
referenced by entity poly seq: 1,CYS,16
referenced by entity poly seq: 1,HIS,17
referenced by entity poly seq: 1,ARG,18
referenced by entity poly seq: 1,ARG,19
referenced by entity poly seq: 1,CYS,20

1,GLY,1
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,1

1,PHE,2
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,2

1,CYS,3
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,3

1,TRP,4
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: TRP
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TRP
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TRP,4

1,ASN,5
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,5

1,VAL,6
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/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,CYS,7
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,7

1,VAL,8
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,8

1,TYR,9
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,9

1,ARG,10
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,10

1,ASN,11
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 11
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,11

1,GLY,12
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 12
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,12

1,VAL,13
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 13
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,13

1,ARG,14
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 14
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,14

1,VAL,15
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: VAL
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: VAL
entity poly seq.num: 15
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,VAL,15

1,CYS,16
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 16
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,16

1,HIS,17
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: HIS
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: HIS
entity poly seq.num: 17
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,HIS,17

1,ARG,18
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 18
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,18

1,ARG,19
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ARG
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ARG
entity poly seq.num: 19
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ARG,19

1,CYS,20
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 20
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,20

1,ASN,21
type: entity poly seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/5Y0I/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ASN
entity poly seq.num: 21
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ASN,21

5Y0I,SOLUTION NMR
type: exptl
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
exptl.entry id: 5Y0I
exptl.method: SOLUTION NMR

Structure model,1,1
type: pdbx audit revision details
of datablock: Solution structure of arenicin-3 derivative N1
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: Solution structure of arenicin-3 derivative N1
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: 2017-07-26

unspecified,36106,BMRB
type: pdbx database related
of datablock: Solution structure of arenicin-3 derivative N1
pdbx database related.content type: unspecified
pdbx database related.db id: 36106
pdbx database related.db name: BMRB
pdbx database related.details: solution structure of arenicin-3 derivative N1
link to bmrb: bmr36106

5Y0I
type: pdbx database status
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
pdbx database status.entry id: 5Y0I
pdbx database status.sg entry: N
pdbx database status.deposit site: PDBJ
pdbx database status.pdb format compatible: Y
pdbx database status.process site: PDBJ
pdbx database status.recvd initial deposition date: 2017-07-17
pdbx database status.status code: REL
pdbx database status.status code cs: REL
pdbx database status.status code mr: REL

1,1
type: pdbx entity src syn
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity: http://rdf.wwpdb.org/pdb/5Y0I/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.ncbi taxonomy id: 6344
pdbx entity src syn.organism scientific: Arenicola marina
pdbx entity src syn.pdbx alt source flag: sample
pdbx entity src syn.pdbx beg seq num: 1
pdbx entity src syn.pdbx end seq num: 21

5Y0I
type: pdbx nmr ensemble
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
pdbx nmr ensemble.entry id: 5Y0I
pdbx nmr ensemble.conformer selection criteria: structures with the lowest energy
pdbx nmr ensemble.conformers calculated total number: 100
pdbx nmr ensemble.conformers submitted total number: 20

1,1,1
type: pdbx nmr exptl
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 1
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-1H TOCSY

1,2,1
type: pdbx nmr exptl
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 2
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-1H NOESY

1,3,1
type: pdbx nmr exptl
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 3
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-15N HSQC

1,4,1
type: pdbx nmr exptl
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 4
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.sample state: isotropic
pdbx nmr exptl.spectrometer id: 1
pdbx nmr exptl.type: 2D 1H-13C HSQC

NZ17074(N1),1
type: pdbx nmr exptl sample
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl sample.component: NZ17074(N1)
pdbx nmr exptl sample.solution id: 1
pdbx nmr exptl sample.concentration: 2
pdbx nmr exptl sample.concentration units: mM
pdbx nmr exptl sample.isotopic labeling: NA-

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_exptl_sample_conditions/1
type: pdbx nmr exptl sample conditions
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr exptl sample conditions.conditions id: 1
pdbx nmr exptl sample conditions.ionic strength: 0
pdbx nmr exptl sample conditions.ionic strength units: mM
pdbx nmr exptl sample conditions.label: condition_1
pdbx nmr exptl sample conditions.p h: 4
pdbx nmr exptl sample conditions.p h units: pH
pdbx nmr exptl sample conditions.pressure: 1.0
pdbx nmr exptl sample conditions.pressure units: atm
pdbx nmr exptl sample conditions.temperature: 298
pdbx nmr exptl sample conditions.temperature units: K

5Y0I,3
type: pdbx nmr refine
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
pdbx nmr refine.entry id: 5Y0I
pdbx nmr refine.software ordinal: 3
pdbx nmr refine.method: simulated annealing

5Y0I
type: pdbx nmr representative
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
pdbx nmr representative.entry id: 5Y0I
pdbx nmr representative.conformer id: 1
pdbx nmr representative.selection criteria: closest to the average

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_sample_details/1
type: pdbx nmr sample details
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr sample details.solution id: 1
pdbx nmr sample details.contents: 2.0 mM NA- NZ17074(N1), 90% H2O/10% D2O
pdbx nmr sample details.label: NA-
pdbx nmr sample details.solvent system: 90% H2O/10% D2O
pdbx nmr sample details.type: solution

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_software/1
type: pdbx nmr software
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr software.ordinal: 1
pdbx nmr software.authors: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
pdbx nmr software.classification: processing
pdbx nmr software.name: NMRPipe

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_software/2
type: pdbx nmr software
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr software.ordinal: 2
pdbx nmr software.authors: CCPN
pdbx nmr software.classification: chemical shift assignment
pdbx nmr software.name: CcpNMR

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_software/3
type: pdbx nmr software
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr software.ordinal: 3
pdbx nmr software.authors: Brunger, Adams, Clore, Gros, Nilges and Read
pdbx nmr software.classification: refinement
pdbx nmr software.name: CNS

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_software/4
type: pdbx nmr software
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr software.ordinal: 4
pdbx nmr software.authors: Linge, O'Donoghue and Nilges
pdbx nmr software.classification: structure calculation
pdbx nmr software.name: ARIA

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_nmr_spectrometer/1
type: pdbx nmr spectrometer
of datablock: Solution structure of arenicin-3 derivative N1
pdbx nmr spectrometer.spectrometer id: 1
pdbx nmr spectrometer.field strength: 600
pdbx nmr spectrometer.manufacturer: Agilent
pdbx nmr spectrometer.model: DD2

A,1,GLY,1
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,GLY,1
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 1
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
referenced by pdbx poly seq scheme: A,1,GLY,1
referenced by pdbx poly seq scheme: A,1,PHE,2
referenced by pdbx poly seq scheme: A,1,CYS,3
referenced by pdbx poly seq scheme: A,1,TRP,4
referenced by pdbx poly seq scheme: A,1,ASN,5
referenced by pdbx poly seq scheme: A,1,VAL,6
referenced by pdbx poly seq scheme: A,1,CYS,7
referenced by pdbx poly seq scheme: A,1,VAL,8
referenced by pdbx poly seq scheme: A,1,TYR,9
referenced by pdbx poly seq scheme: A,1,ARG,10
referenced by pdbx poly seq scheme: A,1,ASN,11
referenced by pdbx poly seq scheme: A,1,GLY,12
referenced by pdbx poly seq scheme: A,1,VAL,13
referenced by pdbx poly seq scheme: A,1,ARG,14
referenced by pdbx poly seq scheme: A,1,VAL,15
referenced by pdbx poly seq scheme: A,1,CYS,16
referenced by pdbx poly seq scheme: A,1,HIS,17
referenced by pdbx poly seq scheme: A,1,ARG,18
referenced by pdbx poly seq scheme: A,1,ARG,19
referenced by pdbx poly seq scheme: A,1,CYS,20
referenced by pdbx poly seq scheme: A,1,ASN,21
type: struct asym
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity: http://rdf.wwpdb.org/pdb/5Y0I/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,PHE,2
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,PHE,2
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,3
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,CYS,3
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,TRP,4
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,TRP,4
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TRP
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: TRP
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: TRP
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,5
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ASN,5
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,6
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,VAL,6
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 6
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: 6
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,7
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,CYS,7
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,8
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,VAL,8
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 8
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

A,1,TYR,9
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,TYR,9
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: TYR
pdbx poly seq scheme.seq id: 9
pdbx poly seq scheme.auth mon id: TYR
pdbx poly seq scheme.auth seq num: 9
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 9
pdbx poly seq scheme.pdb mon id: TYR
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,10
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ARG,10
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 10
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 10
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,11
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ASN,11
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 11
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 11
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 11
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 11
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,12
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,GLY,12
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 12
pdbx poly seq scheme.auth mon id: GLY
pdbx poly seq scheme.auth seq num: 12
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 12
pdbx poly seq scheme.pdb mon id: GLY
pdbx poly seq scheme.pdb seq num: 12
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,13
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,VAL,13
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 13
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 13
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 13
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 13
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,14
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ARG,14
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 14
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 14
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 14
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 14
pdbx poly seq scheme.pdb strand id: A

A,1,VAL,15
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,VAL,15
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/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: 15
pdbx poly seq scheme.auth mon id: VAL
pdbx poly seq scheme.auth seq num: 15
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 15
pdbx poly seq scheme.pdb mon id: VAL
pdbx poly seq scheme.pdb seq num: 15
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,16
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,CYS,16
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 16
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 16
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 16
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 16
pdbx poly seq scheme.pdb strand id: A

A,1,HIS,17
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,HIS,17
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: HIS
pdbx poly seq scheme.seq id: 17
pdbx poly seq scheme.auth mon id: HIS
pdbx poly seq scheme.auth seq num: 17
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 17
pdbx poly seq scheme.pdb mon id: HIS
pdbx poly seq scheme.pdb seq num: 17
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,18
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ARG,18
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 18
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 18
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 18
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 18
pdbx poly seq scheme.pdb strand id: A

A,1,ARG,19
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ARG,19
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ARG
pdbx poly seq scheme.seq id: 19
pdbx poly seq scheme.auth mon id: ARG
pdbx poly seq scheme.auth seq num: 19
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 19
pdbx poly seq scheme.pdb mon id: ARG
pdbx poly seq scheme.pdb seq num: 19
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,20
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,CYS,20
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 20
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 20
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 20
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 20
pdbx poly seq scheme.pdb strand id: A

A,1,ASN,21
type: pdbx poly seq scheme
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity poly seq: 1,ASN,21
reference to struct asym: http://rdf.wwpdb.org/pdb/5Y0I/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ASN
pdbx poly seq scheme.seq id: 21
pdbx poly seq scheme.auth mon id: ASN
pdbx poly seq scheme.auth seq num: 21
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 21
pdbx poly seq scheme.pdb mon id: ASN
pdbx poly seq scheme.pdb seq num: 21
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: Solution structure of arenicin-3 derivative N1
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,1
referenced by pdbx struct assembly auth evidence: 1,1

1,1
type: pdbx struct assembly auth evidence
of datablock: Solution structure of arenicin-3 derivative N1
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/5Y0I/pdbx_struct_assembly/1
pdbx struct assembly auth evidence.assembly id: 1
pdbx struct assembly auth evidence.id: 1
pdbx struct assembly auth evidence.experimental support: none

1,A,1
type: pdbx struct assembly gen
of datablock: Solution structure of arenicin-3 derivative N1
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/5Y0I/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A
pdbx struct assembly gen.oper expression: 1

1,ABSA (A^2)
type: pdbx struct assembly prop
of datablock: Solution structure of arenicin-3 derivative N1
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: ABSA (A^2)
pdbx struct assembly prop.value: 0

1,MORE
type: pdbx struct assembly prop
of datablock: Solution structure of arenicin-3 derivative N1
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: MORE
pdbx struct assembly prop.value: 0

1,SSA (A^2)
type: pdbx struct assembly prop
of datablock: Solution structure of arenicin-3 derivative N1
pdbx struct assembly prop.biol id: 1
pdbx struct assembly prop.type: SSA (A^2)
pdbx struct assembly prop.value: 2240

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: Solution structure of arenicin-3 derivative N1
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.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

1,2,AA1
type: pdbx struct sheet hbond
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct sheet: AA1
pdbx struct sheet hbond.range id 1: 1
pdbx struct sheet hbond.range id 2: 2
pdbx struct sheet hbond.sheet id: AA1
pdbx struct sheet hbond.range 1 auth asym id: A
pdbx struct sheet hbond.range 1 auth atom id: N
pdbx struct sheet hbond.range 1 auth comp id: VAL
pdbx struct sheet hbond.range 1 auth seq id: 8
pdbx struct sheet hbond.range 1 label asym id: A
pdbx struct sheet hbond.range 1 label atom id: N
pdbx struct sheet hbond.range 1 label comp id: VAL
pdbx struct sheet hbond.range 1 label seq id: 8
pdbx struct sheet hbond.range 2 auth asym id: A
pdbx struct sheet hbond.range 2 auth atom id: O
pdbx struct sheet hbond.range 2 auth comp id: VAL
pdbx struct sheet hbond.range 2 auth seq id: 15
pdbx struct sheet hbond.range 2 label asym id: A
pdbx struct sheet hbond.range 2 label atom id: O
pdbx struct sheet hbond.range 2 label comp id: VAL
pdbx struct sheet hbond.range 2 label seq id: 15

AA1
referenced by pdbx struct sheet hbond: 1,2,AA1
type: struct sheet
of datablock: Solution structure of arenicin-3 derivative N1
struct sheet.id: AA1
struct sheet.number strands: 2
referenced by struct sheet order: 1,2,AA1
referenced by struct sheet range: 2,AA1
referenced by struct sheet range: 1,AA1

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_validate_close_contact/1
type: pdbx validate close contact
of datablock: Solution structure of arenicin-3 derivative N1
pdbx validate close contact.id: 1
pdbx validate close contact.pdb model num: 16
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: HH
pdbx validate close contact.auth atom id 2: HH21
pdbx validate close contact.auth comp id 1: TYR
pdbx validate close contact.auth comp id 2: ARG
pdbx validate close contact.auth seq id 1: 9
pdbx validate close contact.auth seq id 2: 14
pdbx validate close contact.dist: 0.99

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_validate_close_contact/2
type: pdbx validate close contact
of datablock: Solution structure of arenicin-3 derivative N1
pdbx validate close contact.id: 2
pdbx validate close contact.pdb model num: 16
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: OH
pdbx validate close contact.auth atom id 2: HH21
pdbx validate close contact.auth comp id 1: TYR
pdbx validate close contact.auth comp id 2: ARG
pdbx validate close contact.auth seq id 1: 9
pdbx validate close contact.auth seq id 2: 14
pdbx validate close contact.dist: 1.59

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: Solution structure of arenicin-3 derivative N1
pdbx validate torsion.id: 1
pdbx validate torsion.pdb model num: 7
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: PHE
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 68.84
pdbx validate torsion.psi: -164.88

http://rdf.wwpdb.org/pdb/5Y0I/pdbx_validate_torsion/2
type: pdbx validate torsion
of datablock: Solution structure of arenicin-3 derivative N1
pdbx validate torsion.id: 2
pdbx validate torsion.pdb model num: 10
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: PHE
pdbx validate torsion.auth seq id: 2
pdbx validate torsion.phi: 64.01
pdbx validate torsion.psi: -168.61

5Y0I
type: struct
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
struct.entry id: 5Y0I
struct.pdbx CASP flag: N
struct.pdbx descriptor: NZ17074(N1)
struct.title: Solution structure of arenicin-3 derivative N1

disulf1
type: struct conn
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct conn type: disulf
struct conn.id: disulf1
struct conn.conn type id: disulf
struct conn.pdbx dist value: 2.031
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: CYS
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: SG
struct conn.ptnr1 label comp id: CYS
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: CYS
struct conn.ptnr2 auth seq id: 20
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: CYS
struct conn.ptnr2 label seq id: 20
struct conn.ptnr2 symmetry: 1_555

disulf
referenced by struct conn: disulf1
referenced by struct conn: disulf2
type: struct conn type
of datablock: Solution structure of arenicin-3 derivative N1
struct conn type.id: disulf

disulf2
type: struct conn
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct conn type: disulf
struct conn.id: disulf2
struct conn.conn type id: disulf
struct conn.pdbx dist value: 2.03
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: CYS
struct conn.ptnr1 auth seq id: 7
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: SG
struct conn.ptnr1 label comp id: CYS
struct conn.ptnr1 label seq id: 7
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: CYS
struct conn.ptnr2 auth seq id: 16
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: CYS
struct conn.ptnr2 label seq id: 16
struct conn.ptnr2 symmetry: 1_555

5Y0I
type: struct keywords
of datablock: Solution structure of arenicin-3 derivative N1
reference to entry: 5Y0I
struct keywords.entry id: 5Y0I
struct keywords.pdbx keywords: ANTIBIOTIC
struct keywords.text: arenicin-3 derivative beta-hairpin antimicrobial action, ANTIBIOTIC

http://rdf.wwpdb.org/pdb/5Y0I/struct_ref/1
type: struct ref
of datablock: Solution structure of arenicin-3 derivative N1
reference to entity: http://rdf.wwpdb.org/pdb/5Y0I/entity/1
struct ref.id: 1
struct ref.db code: 5Y0I
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx align begin: 1
struct ref.pdbx db accession: 5Y0I
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/5Y0I/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/5Y0I/struct_ref_seq/1
type: struct ref seq
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct ref: http://rdf.wwpdb.org/pdb/5Y0I/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 21
struct ref seq.pdbx PDB id code: 5Y0I
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 21
struct ref seq.pdbx db accession: 5Y0I
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: 21

1,2,AA1
type: struct sheet order
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct sheet: AA1
struct sheet order.range id 1: 1
struct sheet order.range id 2: 2
struct sheet order.sheet id: AA1
struct sheet order.sense: anti-parallel

1,AA1
type: struct sheet range
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct sheet: AA1
struct sheet range.id: 1
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: PHE
struct sheet range.beg auth seq id: 2
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: PHE
struct sheet range.beg label seq id: 2
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: ARG
struct sheet range.end auth seq id: 10
struct sheet range.end label asym id: A
struct sheet range.end label comp id: ARG
struct sheet range.end label seq id: 10

2,AA1
type: struct sheet range
of datablock: Solution structure of arenicin-3 derivative N1
reference to struct sheet: AA1
struct sheet range.id: 2
struct sheet range.sheet id: AA1
struct sheet range.beg auth asym id: A
struct sheet range.beg auth comp id: VAL
struct sheet range.beg auth seq id: 13
struct sheet range.beg label asym id: A
struct sheet range.beg label comp id: VAL
struct sheet range.beg label seq id: 13
struct sheet range.end auth asym id: A
struct sheet range.end auth comp id: ASN
struct sheet range.end auth seq id: 21
struct sheet range.end label asym id: A
struct sheet range.end label comp id: ASN
struct sheet range.end label seq id: 21