Structure of PDB 4azr Chain B Binding Site BS01

Receptor Information
>4azr Chain B (length=135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDG
KNLTIKTESTVKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQE
WDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKV
Ligand information
Ligand IDA9M
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)
InChIKeyAUJVQJHODMISJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCCCCCCCCCCCCCCCC(=O)NCCO
ACDLabs 12.01O=C(NCCO)CCCCCCCCCCCCCCCCCCC
FormulaC22 H45 N O2
NameN-(2-hydroxyethyl)icosanamide
ChEMBLCHEMBL4237704
DrugBank
ZINCZINC000064858699
PDB chain4azr Chain A Residue 1135 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4azr Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		L32 C43
Binding residue
(residue number reindexed from 1)		L33 C44
Annotation score1
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:0005515 protein 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:0008544 epidermis development
GO:0010829 negative regulation of D-glucose transmembrane transport
GO:0015908 fatty acid 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:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0030667 secretory granule membrane
GO:0035578 azurophil granule lumen
GO:0045202 synapse
GO:0070062 extracellular exosome
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:4azr, PDBe:4azr, PDBj:4azr
PDBsum4azr
PubMed24531463
UniProtQ01469|FABP5_HUMAN Fatty acid-binding protein 5 (Gene Name=FABP5)

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