Structure of PDB 3p6f Chain A Binding Site BS01

Receptor Information
>3p6f Chain A (length=139) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQMGRGSMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMII
SVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLV
HVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDFBZ
InChIInChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyZZEWMYILWXCRHZ-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(CC(=O)O)c1ccccc1
OpenEye OEToolkits 1.7.0C[C@@H](CC(=O)O)c1ccccc1
CACTVS 3.370C[CH](CC(O)=O)c1ccccc1
CACTVS 3.370C[C@@H](CC(O)=O)c1ccccc1
ACDLabs 12.01O=C(O)CC(c1ccccc1)C
FormulaC10 H12 O2
Name(3S)-3-phenylbutanoic acid
ChEMBL
DrugBank
ZINCZINC000000388112
PDB chain3p6f Chain A Residue 133 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p6f Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Resolution1.2 Å
Binding residue
(original residue number in PDB)		F16 D76 R126 Y128
Binding residue
(residue number reindexed from 1)		F24 D84 R134 Y136
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:3p6f, PDBe:3p6f, PDBj:3p6f
PDBsum3p6f
PubMed25664790
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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