Structure of PDB 7g1o Chain A Binding Site BS01

Receptor Information
>7g1o Chain A (length=135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNG
DVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQK
WDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDWP8
InChIInChI=1S/C12H14ClN3O2S/c1-8-7-11(9(2)6-10(8)13)19(17,18)15-12-4-5-14-16(12)3/h4-7,15H,1-3H3
InChIKeyZWMLTZRACFJOBJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1ccnn1C)c1cc(C)c(Cl)cc1C
OpenEye OEToolkits 2.0.7Cc1cc(c(cc1Cl)C)S(=O)(=O)Nc2ccnn2C
CACTVS 3.385Cn1nccc1N[S](=O)(=O)c2cc(C)c(Cl)cc2C
FormulaC12 H14 Cl N3 O2 S
Name4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
ChEMBL
DrugBank
ZINCZINC000000116706
PDB chain7g1o 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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PDB7g1o Crystal Structure of a human FABP4 complex
Resolution1.12 Å
Binding residue
(original residue number in PDB)		F16 S53 S55 R126
Binding residue
(residue number reindexed from 1)		F20 S57 S59 R130
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:7g1o, PDBe:7g1o, PDBj:7g1o
PDBsum7g1o
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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