Structure of PDB 7g19 Chain A Binding Site BS01

Receptor Information
>7g19 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 IDWN0
InChIInChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21)
InChIKeyQEVXJPWIJNREIX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1CCCc2c(CC1)n(CCc3[nH]nnn3)c4ccccc24
ACDLabs 12.01C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(n2CCc4[nH]nnn4)CCCCCC3
FormulaC17 H21 N5
Name5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
ChEMBL
DrugBank
ZINC
PDB chain7g19 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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PDB7g19 Crystal Structure of a human FABP4 complex
Resolution1.04 Å
Binding residue
(original residue number in PDB)		M20 R126 Y128
Binding residue
(residue number reindexed from 1)		M23 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:7g19, PDBe:7g19, PDBj:7g19
PDBsum7g19
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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