Structure of PDB 1mv9 Chain A Binding Site BS02

Receptor Information
>1mv9 Chain A (length=214) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMPVERILEAELAVEPDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDD
QVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIF
DRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKV
YASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTP
IDTFLMEMLEAPHQ
Ligand information
Ligand IDHXA
InChIInChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
CACTVS 3.341CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
CACTVS 3.341CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
OpenEye OEToolkits 1.5.0CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
ACDLabs 10.04O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
FormulaC22 H32 O2
NameDOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
ChEMBLCHEMBL367149
DrugBankDB03756
ZINCZINC000004474564
PDB chain1mv9 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mv9 Molecular Recognition of Agonist Ligands by RXRs
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I268 A271 A272 Q275 L309 I310 F313 R316 L326 A327 V342 I345 C432 L436
Binding residue
(residue number reindexed from 1)		I22 A25 A26 Q29 L63 I64 F67 R70 L80 A81 V96 I99 C186 L190
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003707 nuclear steroid receptor activity
GO:0008270 zinc ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1mv9, PDBe:1mv9, PDBj:1mv9
PDBsum1mv9
PubMed11981034
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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