Structure of PDB 2zy0 Chain A Binding Site BS02

Receptor Information
>2zy0 Chain A (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDMPVERILEAELAVEPNDPVTNICQAADKQLFTLVEWAKRIPHFSELP
LDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVG
AIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALR
EKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIG
DTPIDTFLMEMLEAP
Ligand information
Ligand ID21P
InChIInChI=1S/C21H26O4Si2/c1-26(2)14-27(3,4)19-13-17(9-10-18(19)26)21(24-11-12-25-21)16-7-5-15(6-8-16)20(22)23/h5-10,13H,11-12,14H2,1-4H3,(H,22,23)
InChIKeyJJYIDLOYXKNNAS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[Si]1(C)C[Si](C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O
OpenEye OEToolkits 1.5.0C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C
ACDLabs 10.04O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)[Si](C[Si]4(C)C)(C)C
FormulaC21 H26 O4 Si2
Name4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
ChEMBL
DrugBank
ZINCZINC000198009843
PDB chain2zy0 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zy0 Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I268 A272 Q275 N306 L309 I310 F313 R316 L326 C432 H435
Binding residue
(residue number reindexed from 1)		I25 A29 Q32 N63 L66 I67 F70 R73 L83 C189 H192
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:2zy0, PDBe:2zy0, PDBj:2zy0
PDBsum2zy0
PubMed19496083
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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