Structure of PDB 1mzn Chain A Binding Site BS02

Receptor Information
>1mzn Chain A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDMPVERILEAELAVEPKTETYVEANNDPVTNICQAADKQLFTLVEWAK
RIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHR
NSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLS
NPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLE
HLFFFKLIGDTPIDTFLMEMLEAP
Ligand information
Ligand IDBM6
InChIInChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)/p-1
InChIKeyZZUKALQMHNSWTK-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CCC4(C)C
CACTVS 3.341CC1(C)CCC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C([O-])=O
OpenEye OEToolkits 1.5.0CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C
FormulaC24 H27 O4
Name4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID;
BMS649
ChEMBL
DrugBank
ZINC
PDB chain1mzn 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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PDB1mzn Molecular Recognition of Agonist Ligands by RXRs
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I268 A272 Q275 N306 L309 I310 F313 R316 L326 C432
Binding residue
(residue number reindexed from 1)		I34 A38 Q41 N72 L75 I76 F79 R82 L92 C198
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:1mzn, PDBe:1mzn, PDBj:1mzn
PDBsum1mzn
PubMed11981034
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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