Structure of PDB 4azm Chain A Binding Site BS01

Receptor Information
>4azm Chain A (length=135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDG
KNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQE
WDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKV
Ligand information
Ligand IDT4B
InChIInChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
InChIKeySJRVJRYZAQYCEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5
CACTVS 3.341CCc1n(nc(c2ccccc2)c1c3ccccc3)c4ccccc4c5cccc(OCC(O)=O)c5
ACDLabs 10.04O=C(O)COc5cccc(c1ccccc1n2nc(c(c2CC)c3ccccc3)c4ccccc4)c5
FormulaC31 H26 N2 O3
Name((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID
ChEMBLCHEMBL247920
DrugBank
ZINCZINC000001549397
PDB chain4azm 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4azm Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Q64 D79 R109 V118 C120 R129 Y131
Binding residue
(residue number reindexed from 1)		Q65 D80 R110 V119 C121 R130 Y132
Annotation score1
Binding affinityBindingDB: Ki=350nM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4azm, PDBe:4azm, PDBj:4azm
PDBsum4azm
PubMed24531463
UniProtQ01469|FABP5_HUMAN Fatty acid-binding protein 5 (Gene Name=FABP5)

[Back to BioLiP]