CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
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atom sites.entry id: 1XY2
atom sites.fract transf matrix11: 0.03693
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0.00789
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 0.11038
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 0.0445
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

1XY2
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atom sites footnote.id: 1
atom sites footnote.text: THE SG ATOM OF RESIDUE MPR 1 IS DISORDERED. THE TWO POSSIBLE SITES FOR THIS ATOM ARE GIVEN AS ALTERNATE LOCATIONS *A* AND *B*.

http://rdf.wwpdb.org/pdb/1XY2/atom_type/C
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http://rdf.wwpdb.org/pdb/1XY2/atom_type/N
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http://rdf.wwpdb.org/pdb/1XY2/atom_type/O
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http://rdf.wwpdb.org/pdb/1XY2/atom_type/S
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mmcif pdbx.dic,5.287
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audit conform.dict name: mmcif_pdbx.dic
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1XY2
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cell.entry id: 1XY2
cell.z PDB: 4
cell.angle alpha: 90
cell.angle beta: 102.06
cell.angle gamma: 90
cell.length a: 27.08
cell.length b: 9.06
cell.length c: 22.98

ASN
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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
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CYS
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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
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GLN
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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
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GLY
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chem comp.id: GLY
chem comp.formula: C2 H5 N O2
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chem comp.name: GLYCINE
chem comp.type: peptide linking
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HOH
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chem comp.id: HOH
chem comp.formula: H2 O
chem comp.formula weight: 18.015
chem comp.name: WATER
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ILE
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chem comp.id: ILE
chem comp.formula: C6 H13 N O2
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chem comp.name: ISOLEUCINE
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LEU
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MPR
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chem comp.name: 2-MERCAPTO-PROPION ALDEHYDE
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NH2
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chem comp.id: NH2
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.name: AMINO GROUP
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PRO
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chem comp.id: PRO
chem comp.formula: C5 H9 N O2
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TYR
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chem comp.id: TYR
chem comp.formula: C9 H11 N O3
chem comp.formula weight: 181.189
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chem comp.name: TYROSINE
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citation.title: Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
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citation.title: X-Ray Analysis of Deamino-Oxytocin. Conformational Flexibility and Receptor Binding
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citation.title: X-Ray Analysis of Polypeptide Hormones at (Less Than or Equal) 1 Angstrom Resolution. Anisotropic Thermal Motion and Secondary Structure of Pancreatic Polypeptide and Deamino-Oxytocin
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of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
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citation author.citation id: 2
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citation author.ordinal: 27

2,Wood, S.P.,28
type: citation author
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citation author.citation id: 2
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2,Tickle, I.J.,29
type: citation author
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reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
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2,Pitts, J.E.,30
type: citation author
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reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
citation author.name: Pitts, J.E.
citation author.ordinal: 30

2,Husain, J.,31
type: citation author
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
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citation author.ordinal: 31

2,Glover, I.D.,32
type: citation author
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
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citation author.ordinal: 32

2,Cooper, S.,33
type: citation author
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reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
citation author.name: Cooper, S.
citation author.ordinal: 33

2,Blundell, T.L.,34
type: citation author
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation author.citation id: 2
citation author.name: Blundell, T.L.
citation author.ordinal: 34

1,Burnett, R.M.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/1
citation editor.citation id: 1
citation editor.name: Burnett, R.M.
citation editor.ordinal: 1

1,Vogel, H.J.
type: citation editor
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reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/1
citation editor.citation id: 1
citation editor.name: Vogel, H.J.
citation editor.ordinal: 2

2,Moras, D.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation editor.citation id: 2
citation editor.name: Moras, D.
citation editor.ordinal: 3

2,Drenth, J.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation editor.citation id: 2
citation editor.name: Drenth, J.
citation editor.ordinal: 4

2,Strandberg, B.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation editor.citation id: 2
citation editor.name: Strandberg, B.
citation editor.ordinal: 5

2,Suck, D.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation editor.citation id: 2
citation editor.name: Suck, D.
citation editor.ordinal: 6

2,Wilson, K.
type: citation editor
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to citation: http://rdf.wwpdb.org/pdb/1XY2/citation/2
citation editor.citation id: 2
citation editor.name: Wilson, K.
citation editor.ordinal: 7

1XY2,PDB
type: database 2
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
database 2.database code: 1XY2
database 2.database id: PDB

D 1000177326,WWPDB
type: database 2
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
database 2.database code: D_1000177326
database 2.database id: WWPDB

1XY2
type: database PDB matrix
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
database PDB matrix.entry id: 1XY2
database PDB matrix.origx11: 1
database PDB matrix.origx12: 0
database PDB matrix.origx13: 0
database PDB matrix.origx21: 0
database PDB matrix.origx22: 1
database PDB matrix.origx23: 0
database PDB matrix.origx31: 0
database PDB matrix.origx32: 0
database PDB matrix.origx33: 1
database PDB matrix.origx vector1: 0
database PDB matrix.origx vector2: 0
database PDB matrix.origx vector3: 0

http://rdf.wwpdb.org/pdb/1XY2/diffrn/1
type: diffrn
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to exptl crystal: http://rdf.wwpdb.org/pdb/1XY2/exptl_crystal/1
diffrn.id: 1
diffrn.crystal id: 1
referenced by diffrn radiation: http://rdf.wwpdb.org/pdb/1XY2/diffrn_radiation/1

http://rdf.wwpdb.org/pdb/1XY2/exptl_crystal/1
referenced by diffrn: http://rdf.wwpdb.org/pdb/1XY2/diffrn/1
type: exptl crystal
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
exptl crystal.id: 1
exptl crystal.density matthews: 1.41

http://rdf.wwpdb.org/pdb/1XY2/diffrn_radiation/1
type: diffrn radiation
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to diffrn: http://rdf.wwpdb.org/pdb/1XY2/diffrn/1
diffrn radiation.diffrn id: 1
diffrn radiation.pdbx scattering type: x-ray
diffrn radiation.wavelength id: 1

http://rdf.wwpdb.org/pdb/1XY2/diffrn_radiation_wavelength/1
type: diffrn radiation wavelength
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
diffrn radiation wavelength.id: 1
diffrn radiation wavelength.wt: 1

http://rdf.wwpdb.org/pdb/1XY2/entity/1
type: entity
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
entity.id: 1
entity.formula weight: 977.182
entity.pdbx description: OXYTOCIN
entity.pdbx number of molecules: 1
entity.src method: man
entity.type: polymer
referenced by entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/1XY2/struct_ref/1

http://rdf.wwpdb.org/pdb/1XY2/entity/2
type: entity
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
entity.id: 2
entity.formula weight: 18.015
entity.pdbx description: water
entity.pdbx number of molecules: 7
entity.src method: nat
entity.type: water
referenced by struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/B
referenced by pdbx entity nonpoly: http://rdf.wwpdb.org/pdb/1XY2/pdbx_entity_nonpoly/2

http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
type: entity poly
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity: http://rdf.wwpdb.org/pdb/1XY2/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code: (MPR)YIQNCPLG(NH2)
entity poly.pdbx seq one letter code can: XYIQNCPLGX
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,NH2,10
referenced by entity poly seq: 1,MPR,1
referenced by entity poly seq: 1,TYR,2
referenced by entity poly seq: 1,ILE,3
referenced by entity poly seq: 1,GLN,4
referenced by entity poly seq: 1,ASN,5
referenced by entity poly seq: 1,CYS,6
referenced by entity poly seq: 1,PRO,7
referenced by entity poly seq: 1,LEU,8
referenced by entity poly seq: 1,GLY,9

1,MPR,1
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: MPR
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: MPR
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,MPR,1

1,TYR,2
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: TYR
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: TYR
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,TYR,2

1,ILE,3
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: ILE
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: ILE
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,ILE,3

1,GLN,4
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: GLN
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLN
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLN,4

1,ASN,5
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: ASN
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/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,CYS,6
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 6
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,6

1,PRO,7
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: PRO
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PRO
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PRO,7

1,LEU,8
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: LEU
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/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,GLY,9
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: GLY
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: GLY
entity poly seq.num: 9
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,GLY,9

1,NH2,10
type: entity poly seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to chem comp: NH2
reference to entity poly: http://rdf.wwpdb.org/pdb/1XY2/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: NH2
entity poly seq.num: 10
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,NH2,10

1XY2,X-RAY DIFFRACTION
type: exptl
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
exptl.entry id: 1XY2
exptl.method: X-RAY DIFFRACTION

Structure model,1,5
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Structure model,5
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Structure model,2,5
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Structure model,1,1
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Structure model,1
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Structure model,1,2
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Structure model,2
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Structure model,2,3
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pdbx audit revision group.ordinal: 2
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pdbx audit revision group.group: Version format compliance

Structure model,3
referenced by pdbx audit revision group: Structure model,2,3
type: pdbx audit revision history
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pdbx audit revision history.data content type: Structure model
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pdbx audit revision history.minor revision: 2
pdbx audit revision history.revision date: 2011-07-13

Structure model,3,4
type: pdbx audit revision group
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Structure model,4
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Structure model,4,5
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Structure model,5,5
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pdbx audit revision group.group: Other

Structure model,1,5
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pdbx audit revision item.item: _pdbx_database_status.process_site

1XY2
type: pdbx database status
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
pdbx database status.entry id: 1XY2
pdbx database status.pdb format compatible: Y
pdbx database status.process site: BNL
pdbx database status.recvd initial deposition date: 1987-06-05
pdbx database status.status code: REL

http://rdf.wwpdb.org/pdb/1XY2/pdbx_entity_nonpoly/2
type: pdbx entity nonpoly
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity: http://rdf.wwpdb.org/pdb/1XY2/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: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
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: 1
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: 11
pdbx nonpoly scheme.pdb strand id: A

B,2
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 2
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 2
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: 12
pdbx nonpoly scheme.pdb strand id: A

B,3
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 3
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 3
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: 13
pdbx nonpoly scheme.pdb strand id: A

B,4
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 4
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 4
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: 14
pdbx nonpoly scheme.pdb strand id: A

B,5
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 5
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 5
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: 15
pdbx nonpoly scheme.pdb strand id: A

B,6
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 6
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 6
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: 16
pdbx nonpoly scheme.pdb strand id: A

B,7
type: pdbx nonpoly scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx nonpoly scheme.asym id: B
pdbx nonpoly scheme.ndb seq num: 7
pdbx nonpoly scheme.auth mon id: HOH
pdbx nonpoly scheme.auth seq num: 7
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: 17
pdbx nonpoly scheme.pdb strand id: A

A,1,MPR,1
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,MPR,1
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: MPR
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: MPR
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: MPR
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
referenced by pdbx poly seq scheme: A,1,MPR,1
referenced by pdbx poly seq scheme: A,1,TYR,2
referenced by pdbx poly seq scheme: A,1,ILE,3
referenced by pdbx poly seq scheme: A,1,GLN,4
referenced by pdbx poly seq scheme: A,1,ASN,5
referenced by pdbx poly seq scheme: A,1,CYS,6
referenced by pdbx poly seq scheme: A,1,PRO,7
referenced by pdbx poly seq scheme: A,1,LEU,8
referenced by pdbx poly seq scheme: A,1,GLY,9
referenced by pdbx poly seq scheme: A,1,NH2,10
type: struct asym
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity: http://rdf.wwpdb.org/pdb/1XY2/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,TYR,2
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,TYR,2
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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: 2
pdbx poly seq scheme.auth mon id: TYR
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: TYR
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,ILE,3
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,ILE,3
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: ILE
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: ILE
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: ILE
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,GLN,4
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,GLN,4
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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: 4
pdbx poly seq scheme.auth mon id: GLN
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: GLN
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: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,ASN,5
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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,CYS,6
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,CYS,6
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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: 6
pdbx poly seq scheme.auth mon id: CYS
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: CYS
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,PRO,7
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,PRO,7
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PRO
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: PRO
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: PRO
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,LEU,8
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,LEU,8
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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: 8
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: 8
pdbx poly seq scheme.pdb strand id: A

A,1,GLY,9
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,GLY,9
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/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: 9
pdbx poly seq scheme.auth mon id: GLY
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: GLY
pdbx poly seq scheme.pdb seq num: 9
pdbx poly seq scheme.pdb strand id: A

A,1,NH2,10
type: pdbx poly seq scheme
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity poly seq: 1,NH2,10
reference to struct asym: http://rdf.wwpdb.org/pdb/1XY2/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: NH2
pdbx poly seq scheme.seq id: 10
pdbx poly seq scheme.auth mon id: NH2
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: NH2
pdbx poly seq scheme.pdb seq num: 10
pdbx poly seq scheme.pdb strand id: A

1XY2,X-RAY DIFFRACTION
type: pdbx refine
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
pdbx refine.entry id: 1XY2
pdbx refine.pdbx refine id: X-RAY DIFFRACTION
pdbx refine.r factor obs 4sig cutoff: 0.1
pdbx refine.number reflns obs 4sig cutoff: 1800

http://rdf.wwpdb.org/pdb/1XY2/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
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,B,1

1,A,B,1
type: pdbx struct assembly gen
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/1XY2/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

http://rdf.wwpdb.org/pdb/1XY2/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
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

http://rdf.wwpdb.org/pdb/1XY2/pdbx_validate_main_chain_plane/1
type: pdbx validate main chain plane
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx validate main chain plane.id: 1
pdbx validate main chain plane.pdb model num: 1
pdbx validate main chain plane.auth asym id: A
pdbx validate main chain plane.auth comp id: ILE
pdbx validate main chain plane.auth seq id: 3
pdbx validate main chain plane.improper torsion angle: 15.12

http://rdf.wwpdb.org/pdb/1XY2/pdbx_validate_rmsd_bond/1
type: pdbx validate rmsd bond
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx validate rmsd bond.id: 1
pdbx validate rmsd bond.pdb model num: 1
pdbx validate rmsd bond.auth asym id 1: A
pdbx validate rmsd bond.auth asym id 2: A
pdbx validate rmsd bond.auth atom id 1: C
pdbx validate rmsd bond.auth atom id 2: N
pdbx validate rmsd bond.auth comp id 1: ILE
pdbx validate rmsd bond.auth comp id 2: GLN
pdbx validate rmsd bond.auth seq id 1: 3
pdbx validate rmsd bond.auth seq id 2: 4
pdbx validate rmsd bond.bond deviation: 0.159
pdbx validate rmsd bond.bond standard deviation: 0.023
pdbx validate rmsd bond.bond target value: 1.336
pdbx validate rmsd bond.bond value: 1.495
pdbx validate rmsd bond.linker flag: Y

http://rdf.wwpdb.org/pdb/1XY2/pdbx_validate_rmsd_bond/2
type: pdbx validate rmsd bond
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx validate rmsd bond.id: 2
pdbx validate rmsd bond.pdb model num: 1
pdbx validate rmsd bond.auth asym id 1: A
pdbx validate rmsd bond.auth asym id 2: A
pdbx validate rmsd bond.auth atom id 1: CA
pdbx validate rmsd bond.auth atom id 2: CB
pdbx validate rmsd bond.auth comp id 1: CYS
pdbx validate rmsd bond.auth comp id 2: CYS
pdbx validate rmsd bond.auth seq id 1: 6
pdbx validate rmsd bond.auth seq id 2: 6
pdbx validate rmsd bond.bond deviation: -0.097
pdbx validate rmsd bond.bond standard deviation: 0.013
pdbx validate rmsd bond.bond target value: 1.526
pdbx validate rmsd bond.bond value: 1.429
pdbx validate rmsd bond.linker flag: N

http://rdf.wwpdb.org/pdb/1XY2/pdbx_validate_rmsd_bond/3
type: pdbx validate rmsd bond
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx validate rmsd bond.id: 3
pdbx validate rmsd bond.pdb model num: 1
pdbx validate rmsd bond.auth asym id 1: A
pdbx validate rmsd bond.auth asym id 2: A
pdbx validate rmsd bond.auth atom id 1: CB
pdbx validate rmsd bond.auth atom id 2: SG
pdbx validate rmsd bond.auth comp id 1: CYS
pdbx validate rmsd bond.auth comp id 2: CYS
pdbx validate rmsd bond.auth seq id 1: 6
pdbx validate rmsd bond.auth seq id 2: 6
pdbx validate rmsd bond.bond deviation: 0.118
pdbx validate rmsd bond.bond standard deviation: 0.017
pdbx validate rmsd bond.bond target value: 1.818
pdbx validate rmsd bond.bond value: 1.936
pdbx validate rmsd bond.linker flag: N

http://rdf.wwpdb.org/pdb/1XY2/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
pdbx validate torsion.id: 1
pdbx validate torsion.pdb model num: 1
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: ASN
pdbx validate torsion.auth seq id: 5
pdbx validate torsion.phi: -154.94
pdbx validate torsion.psi: 63.68

1XY2,X-RAY DIFFRACTION
type: refine
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
refine.entry id: 1XY2
refine.pdbx refine id: X-RAY DIFFRACTION
refine.ls d res high: 1.2
refine.pdbx diffrn id: 1

LAST,X-RAY DIFFRACTION
type: refine hist
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
refine hist.cycle id: LAST
refine hist.pdbx refine id: X-RAY DIFFRACTION
refine hist.d res high: 1.2
refine hist.number atoms solvent: 7
refine hist.number atoms total: 75
refine hist.pdbx number atoms ligand: 0
refine hist.pdbx number atoms nucleic acid: 0
refine hist.pdbx number atoms protein: 68

http://rdf.wwpdb.org/pdb/1XY2/software/1
type: software
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
software.pdbx ordinal: 1
software.classification: model building
software.name: SHELX

http://rdf.wwpdb.org/pdb/1XY2/software/2
type: software
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
software.pdbx ordinal: 2
software.classification: refinement
software.name: SHELX-76

http://rdf.wwpdb.org/pdb/1XY2/software/3
type: software
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
software.pdbx ordinal: 3
software.classification: phasing
software.name: SHELX

1XY2
type: struct
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
struct.entry id: 1XY2
struct.pdbx descriptor: 1 BETA-MERCAPTOPROPIONATE-OXYTOCIN (DRY FORM)
struct.title: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING

http://rdf.wwpdb.org/pdb/1XY2/struct_asym/B
type: struct asym
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity: http://rdf.wwpdb.org/pdb/1XY2/entity/2
struct asym.id: B
struct asym.entity id: 2
struct asym.pdbx blank PDB chainid flag: N
struct asym.pdbx modified: N

http://rdf.wwpdb.org/pdb/1XY2/struct_biol/1
type: struct biol
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
struct biol.id: 1

covale1
type: struct conn
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.34
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: GLY
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: GLY
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: NH2
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: NH2
struct conn.ptnr2 label seq id: 10
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
type: struct conn type
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
struct conn type.id: covale

covale2
type: struct conn
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.288
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MPR
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C1
struct conn.ptnr1 label comp id: MPR
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: TYR
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: TYR
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale3
type: struct conn
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.985
struct conn.pdbx ptnr1 label alt id: A
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: MPR
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: S3
struct conn.ptnr1 label comp id: MPR
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: CYS
struct conn.ptnr2 auth seq id: 6
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: 6
struct conn.ptnr2 symmetry: 1_555

1XY2
type: struct keywords
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
struct keywords.entry id: 1XY2
struct keywords.pdbx keywords: HORMONE
struct keywords.text: HORMONE

http://rdf.wwpdb.org/pdb/1XY2/struct_ref/1
type: struct ref
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entity: http://rdf.wwpdb.org/pdb/1XY2/entity/1
struct ref.id: 1
struct ref.db code: 1XY2
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx db accession: 1XY2
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/1XY2/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/1XY2/struct_ref_seq/1
type: struct ref seq
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct ref: http://rdf.wwpdb.org/pdb/1XY2/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 10
struct ref seq.pdbx PDB id code: 1XY2
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 10
struct ref seq.pdbx db accession: 1XY2
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: 10

AC1
type: struct site
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
struct site.id: AC1
struct site.details: BINDING SITE FOR RESIDUE NH2 A 10
struct site.pdbx evidence code: Software
struct site.pdbx num residues: 2
referenced by struct site gen: 2,AC1
referenced by struct site gen: 1,AC1

1,AC1
type: struct site gen
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct site: AC1
struct site gen.id: 1
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: GLY
struct site gen.auth seq id: 9
struct site gen.label asym id: A
struct site gen.label comp id: GLY
struct site gen.label seq id: 9
struct site gen.pdbx num res: 2
struct site gen.symmetry: 1_555

2,AC1
type: struct site gen
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to struct site: AC1
struct site gen.id: 2
struct site gen.site id: AC1
struct site gen.auth asym id: A
struct site gen.auth comp id: HOH
struct site gen.auth seq id: 13
struct site gen.label asym id: B
struct site gen.label comp id: HOH
struct site gen.pdbx num res: 2
struct site gen.symmetry: 1_555

1XY2
type: symmetry
of datablock: CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
reference to entry: 1XY2
symmetry.entry id: 1XY2
symmetry.int tables number: 5
symmetry.space group name H-M: C 1 2 1