Structure of PDB 7fyr Chain A Binding Site BS01

Receptor Information
>7fyr 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 IDW9F
InChIInChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyVFBNGIYTHHJIJA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1
OpenEye OEToolkits 2.0.7CC1(C(=O)NC(=S)NC1=O)c2ccc(c(c2)Cl)Cl
CACTVS 3.385CC1(C(=O)NC(=S)NC1=O)c2ccc(Cl)c(Cl)c2
FormulaC11 H8 Cl2 N2 O2 S
Name5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
ChEMBL
DrugBank
ZINC
PDB chain7fyr 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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PDB7fyr 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)		F19 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:7fyr, PDBe:7fyr, PDBj:7fyr
PDBsum7fyr
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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