Structure of PDB 7fwe Chain A Binding Site BS01

Receptor Information
>7fwe Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDV
ITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWD
GKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDMF9
InChIInChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyDSCJEDOCSCNYAI-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](CC(O)=O)Sc1ccc(Cl)cc1
CACTVS 3.385C[CH](CC(O)=O)Sc1ccc(Cl)cc1
ACDLabs 12.01Clc1ccc(SC(C)CC(=O)O)cc1
OpenEye OEToolkits 2.0.7CC(CC(=O)O)Sc1ccc(cc1)Cl
OpenEye OEToolkits 2.0.7C[C@@H](CC(=O)O)Sc1ccc(cc1)Cl
FormulaC10 H11 Cl O2 S
Name(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid
ChEMBL
DrugBank
ZINCZINC000005211284
PDB chain7fwe Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fwe Crystal Structure of a human FABP4 complex
Resolution1.05 Å
Binding residue
(original residue number in PDB)		F16 D76 R126 Y128
Binding residue
(residue number reindexed from 1)		F18 D78 R128 Y130
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7fwe, PDBe:7fwe, PDBj:7fwe
PDBsum7fwe
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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