Structure of PDB 3jsq Chain A Binding Site BS01

Receptor Information
>3jsq Chain A (length=131) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDLVT
IRSESTFKNTEISFKLGVEFDEITADDRKVKSIITLDGGALVQVQKWDGK
STTIKRKRDGDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDHNE
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1
InChIKeyJVJFIQYAHPMBBX-VPIOIWJLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(C=CC=O)O
ACDLabs 10.04O=C/C=C/C(O)CCCCC
OpenEye OEToolkits 1.5.0CCCCC[C@H](C=CC=O)O
CACTVS 3.341CCCCC[CH](O)C=CC=O
CACTVS 3.341CCCCC[C@@H](O)/C=C/C=O
FormulaC9 H16 O2
Name(2E,4R)-4-HYDROXYNON-2-ENAL
ChEMBL
DrugBank
ZINCZINC000002020117
PDB chain3jsq 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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PDB3jsq X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F16 Y19
Binding residue
(residue number reindexed from 1)		F16 Y19
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0051427 hormone receptor binding
Biological Process
GO:0009617 response to bacterium
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:0005654 nucleoplasm
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3jsq, PDBe:3jsq, PDBj:3jsq
PDBsum3jsq
PubMed20509169
UniProtP04117|FABP4_MOUSE Fatty acid-binding protein, adipocyte (Gene Name=Fabp4)

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