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Structure of PDB 1fby Chain B Binding Site BS01

Receptor Information >1fby Chain B (length=212) 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 IDTFLMEMLEAP

Ligand information Ligand ID 9CR InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ InChIKey SHGAZHPCJJPHSC-ZVCIMWCZSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C CACTVS 3.370 CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1 ACDLabs 12.01 O=C(O)\C=C(\C=C\C=C(/C=C/C1=C(C)CCCC1(C)C)C)C CACTVS 3.370 CC1=C(C=CC(C)=CC=CC(C)=CC(O)=O)C(C)(C)CCC1 OpenEye OEToolkits 1.7.6 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C Formula C20 H28 O2 Name (9cis)-retinoic acid ChEMBL CHEMBL705 DrugBank DB00523 ZINC ZINC000012661824 PDB chain 1fby Chain B Residue 1500 [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 1fby Crystal structure of the human RXRalpha ligand-binding domain bound to its natural ligand: 9-cis retinoic acid. Resolution 2.25 Å Binding residue (original residue number in PDB) I1268 A1271 A1272 Q1275 F1313 R1316 L1326 A1327 V1342 C1432 Binding residue (residue number reindexed from 1) I22 A25 A26 Q29 F67 R70 L80 A81 V96 C186 Annotation score 1 Binding affinity MOAD: Kd=1.5nM BindingDB: EC50=100nM,Ki=583nM,IC50=32nM,Kd=240nM

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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