Structure of PDB 2bn2 Chain A Binding Site BS01

Receptor Information
>2bn2 Chain A (length=85) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMSDLELRQCLPCGPGGKGRCFGPSICCGDELGCFVGTAEALRCQEENYL
PSPCQSGQKPCGSGGRCAAAGICCNDESCVTEPEC
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain2bn2 Chain A Residue 98 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bn2 Crystal structure of a bovine neurophysin II dipeptide complex at 2.8 A determined from the single-wavelength anomalous scattering signal of an incorporated iodine atom.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E47 L50 P51 S52 P53 C54
Binding residue
(residue number reindexed from 1)		E47 L50 P51 S52 P53 C54
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005185 neurohypophyseal hormone activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:2bn2, PDBe:2bn2, PDBj:2bn2
PDBsum2bn2
PubMed2034668
UniProtP01180|NEU2_BOVIN Vasopressin-neurophysin 2-copeptin (Gene Name=AVP)

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