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Structure of PDB 4m8h Chain A Binding Site BS02

Receptor Information >4m8h 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] EDMPVERILEAELAVEPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPL DDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGA IFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALRE KVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGD TPIDTFLMEMLEAP

Ligand information Ligand ID R4M InChI InChI=1S/C21H26O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-5,7,9-10,13-14,17H,6,8,11-12H2,1-3H3,(H,22,23)/b15-7-,16-14+,18-13+/t17-/m1/s1 InChIKey ONGGGDPVQXADCB-RGZUUTACSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2 ACDLabs 12.01 O=C(O)\C=C(/C)CC/C=C(\C=C2\c1c(cccc1)C(CC2)C)C OpenEye OEToolkits 1.7.6 CC1CCC(=CC(=CCCC(=CC(=O)O)C)C)c2c1cccc2 CACTVS 3.385 C[CH]1CCC(=CC(C)=CCCC(C)=CC(O)=O)c2ccccc12 CACTVS 3.385 C[C@@H]1CC\C(=C/C(C)=C\CC/C(C)=C/C(O)=O)c2ccccc12 Formula C21 H26 O2 Name (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid ChEMBL DrugBank ZINC ZINC000095920546 PDB chain 4m8h Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4m8h Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention. Resolution 2.2 Å Binding residue (original residue number in PDB) I268 A271 A272 Q275 F313 R316 A327 C432 Binding residue (residue number reindexed from 1) I24 A27 A28 Q31 F69 R72 A83 C188 Annotation score 1 Binding affinity MOAD: Kd=25nM PDBbind-CN: -logKd/Ki=7.60,Kd=25nM

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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