Structure of PDB 5mk4 Chain A Binding Site BS02

Receptor Information
>5mk4 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]
DMPVERILEAELAVESSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELP
LDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVG
AIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALR
EKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIG
DTPIDTFLMEMLEA
Ligand information
Ligand IDI5W
InChIInChI=1S/C22H18O3/c1-15-7-10-18(17-5-3-2-4-6-17)14-19(15)20-13-16(8-11-21(20)23)9-12-22(24)25/h2-14,23H,1H3,(H,24,25)/b12-9+
InChIKeyZVBMBUNLXBSQPU-FMIVXFBMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(cc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3
CACTVS 3.385Cc1ccc(cc1c2cc(\C=C\C(O)=O)ccc2O)c3ccccc3
OpenEye OEToolkits 2.0.6Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3
CACTVS 3.385Cc1ccc(cc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3
FormulaC22 H18 O3
Name(~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain5mk4 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mk4 Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I268 A272 N306 F313 R316 L326 A327 V342 F346 C432
Binding residue
(residue number reindexed from 1)		I25 A29 N63 F70 R73 L83 A84 V99 F103 C189
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:5mk4, PDBe:5mk4, PDBj:5mk4
PDBsum5mk4
PubMed28691794
UniProtP19793|RXRA_HUMAN Retinoic acid receptor RXR-alpha (Gene Name=RXRA)

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