Structure of PDB 7fzf Chain A Binding Site BS01

Receptor Information
>7fzf 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 IDWFO
InChIInChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyLGPFPZPACCUANZ-GFCCVEGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(C(=O)O)N1C=Nc2c(c(c(s2)C)c3ccccc3)C1=O
OpenEye OEToolkits 2.0.7CC[C@@H](C(=O)O)N1C=Nc2c(c(c(s2)C)c3ccccc3)C1=O
CACTVS 3.385CC[CH](N1C=Nc2sc(C)c(c3ccccc3)c2C1=O)C(O)=O
ACDLabs 12.01O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1
CACTVS 3.385CC[C@@H](N1C=Nc2sc(C)c(c3ccccc3)c2C1=O)C(O)=O
FormulaC17 H16 N2 O3 S
Name(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
ChEMBL
DrugBank
ZINCZINC000000145958
PDB chain7fzf 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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PDB7fzf Crystal Structure of a human FABP4 complex
Resolution1.09 Å
Binding residue
(original residue number in PDB)		F16 A33 A75 D76
Binding residue
(residue number reindexed from 1)		F18 A35 A77 D78
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
View graph for
Cellular Component
External links
PDB RCSB:7fzf, PDBe:7fzf, PDBj:7fzf
PDBsum7fzf
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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