Structure of PDB 7fxg Chain A Binding Site BS01

Receptor Information
>7fxg 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 IDRG6
InChIInChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H
InChIKeyVFNOHWLGFSZWDJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F
ACDLabs 12.01Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F
OpenEye OEToolkits 2.0.7c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F
FormulaC8 H3 Cl F6 O S2
Name2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
ChEMBL
DrugBank
ZINC
PDB chain7fxg Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fxg Crystal Structure of a human FABP4 complex
Resolution1.12 Å
Binding residue
(original residue number in PDB)		F16 M20 D76 R126
Binding residue
(residue number reindexed from 1)		F19 M23 D79 R129
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:7fxg, PDBe:7fxg, PDBj:7fxg
PDBsum7fxg
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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