Structure of PDB 7fw8 Chain A Binding Site BS01

Receptor Information
>7fw8 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]
SHMCDAFVGTWKLVSSENFDDYMKELGVGFATRKVAGMAKPNTIISVNGD
VITLKTESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKW
DGKSTTLKRKREDDKLVLELVMKGVTCTRVYERA
Ligand information
Ligand ID5M8
InChIInChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
InChIKeyDTGFDMHLQGULMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
OpenEye OEToolkits 2.0.4Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O
FormulaC17 H12 Cl N O2
Name6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
ChEMBLCHEMBL1738980
DrugBank
ZINCZINC000000243048
PDB chain7fw8 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fw8 Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
Resolution1.16 Å
Binding residue
(original residue number in PDB)		T53 S55 D76
Binding residue
(residue number reindexed from 1)		T56 S58 D79
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:7fw8, PDBe:7fw8, PDBj:7fw8
PDBsum7fw8
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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