Structure of PDB 4bvm Chain A Binding Site BS01

Receptor Information
>4bvm Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMSNKFLGTWKLVSSENFDDYMKALGVGLATRKLGNLAKPTVIISKKGDI
ITIRTESTFKNTEISFKLGQEFEETTADNRKTKSIVTLQRGSLNQVQRWD
GKETTIKRKLVNGKMVAECKMKGVVCTRIYEKV
Ligand information
Ligand IDVCA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKeyUWHZIFQPPBDJPM-FPLPWBNLSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.370CCCCCC\C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC=CCCCCCCCCCC(=O)O
CACTVS 3.370CCCCCCC=CCCCCCCCCCC(O)=O
FormulaC18 H34 O2
NameVACCENIC ACID;
(11E)-OCTADEC-11-ENOIC ACID
ChEMBLCHEMBL1236642
DrugBankDB04801
ZINCZINC000014881303
PDB chain4bvm Chain A Residue 1133 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bvm Atomic Resolution View Into the Structure-Function Relationships of the Human Myelin Peripheral Membrane Protein P2
Resolution0.93 Å
Binding residue
(original residue number in PDB)		P38 T53 A75 D76 R106 R126 Y128
Binding residue
(residue number reindexed from 1)		P40 T55 A77 D78 R108 R128 Y130
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015485 cholesterol binding
Biological Process
GO:0015908 fatty acid transport
GO:0061024 membrane organization
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043209 myelin sheath
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bvm, PDBe:4bvm, PDBj:4bvm
PDBsum4bvm
PubMed24419389
UniProtP02689|MYP2_HUMAN Myelin P2 protein (Gene Name=PMP2)

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