Structure of PDB 4azq Chain A Binding Site BS01

Receptor Information
>4azq Chain A (length=136) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMASLKDLEGKWRLMESHGFEEYMKELGVGLALRKMAAMAKPDCIITCDG
NNITVKTESTVKTTVFSCNLGEKFEETTADGRKTETVCTFQDGALVQHQQ
WDGKESTITRKLKDGKMIVECVMNNATCTRVYEKVQ
Ligand information
Ligand IDG2A
InChIInChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
InChIKeyKECCPKLXQUOWMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
FormulaC23 H46 O4
Name2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
ChEMBL
DrugBank
ZINCZINC000032840827
PDB chain4azq Chain A Residue 1136 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4azq Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A36 C43 T56 D79 R109 V118 R129 Y131
Binding residue
(residue number reindexed from 1)		A37 C44 T57 D80 R110 V119 R130 Y132
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001972 retinoic acid binding
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0042802 identical protein binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006629 lipid metabolic process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0006869 lipid transport
GO:0010829 negative regulation of D-glucose transmembrane transport
GO:0015909 long-chain fatty acid transport
GO:0031392 regulation of prostaglandin biosynthetic process
GO:0035360 positive regulation of peroxisome proliferator activated receptor signaling pathway
GO:0042593 glucose homeostasis
GO:0051930 regulation of sensory perception of pain
GO:0098921 retrograde trans-synaptic signaling by endocannabinoid
GO:0099178 regulation of retrograde trans-synaptic signaling by endocanabinoid
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1990379 lipid transport across blood-brain barrier
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0014069 postsynaptic density
GO:0045202 synapse
GO:0098978 glutamatergic synapse
GO:0099092 postsynaptic density, intracellular component
GO:0099524 postsynaptic cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4azq, PDBe:4azq, PDBj:4azq
PDBsum4azq
PubMed24531463
UniProtQ05816|FABP5_MOUSE Fatty acid-binding protein 5 (Gene Name=Fabp5)

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