Structure of PDB 7g0l Chain A Binding Site BS01

Receptor Information
>7g0l Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGD
VITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKW
DGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDWKN
InChIInChI=1S/C17H16N2O2/c1-12-7-8-13(9-14-11-17(20)19-18-14)10-16(12)21-15-5-3-2-4-6-15/h2-8,10-11H,9H2,1H3,(H2,18,19,20)
InChIKeyGPXFNGBPPBGNJG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc(Cc2cc(O)[nH]n2)cc1Oc3ccccc3
OpenEye OEToolkits 2.0.7Cc1ccc(cc1Oc2ccccc2)Cc3cc([nH]n3)O
ACDLabs 12.01Cc1ccc(cc1Oc1ccccc1)Cc1cc(O)[NH]n1
FormulaC17 H16 N2 O2
Name3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
ChEMBL
DrugBank
ZINC
PDB chain7g0l Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7g0l Crystal Structure of a human FABP4 complex
Resolution1.18 Å
Binding residue
(original residue number in PDB)		A75 D76 R126 Y128
Binding residue
(residue number reindexed from 1)		A78 D79 R129 Y131
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0051427 hormone receptor binding
Biological Process
GO:0009617 response to bacterium
GO:0015908 fatty acid transport
GO:0015909 long-chain fatty acid transport
GO:0042632 cholesterol homeostasis
GO:0045892 negative regulation of DNA-templated transcription
GO:0050729 positive regulation of inflammatory response
GO:0050872 white fat cell differentiation
GO:0050873 brown fat cell differentiation
GO:0071285 cellular response to lithium ion
GO:0071356 cellular response to tumor necrosis factor
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005811 lipid droplet
GO:0005829 cytosol
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:7g0l, PDBe:7g0l, PDBj:7g0l
PDBsum7g0l
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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