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Structure of PDB 5z12 Chain B Binding Site BS02

Receptor Information >5z12 Chain B (length=217) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] EDMPVERILEAELAVEPKTENDPVTNICQAADKQLFTLVEWAKRIPHFSE LPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAG VGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEA LREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKL IGDTPIDTFLMEMLEAP

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 5z12 Chain B Residue 501 [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 5z12 Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR Resolution 2.75 Å Binding residue (original residue number in PDB) I268 W305 L309 F313 R316 L326 A327 V342 I345 C432 L436 Binding residue (residue number reindexed from 1) I27 W64 L68 F72 R75 L85 A86 V101 I104 C191 L195 Annotation score 1 Binding affinity 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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