Structure of PDB 7a78 Chain A Binding Site BS02

Receptor Information
>7a78 Chain A (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMPVDRILEAELAVENDPVTNICQAADKQLFTLVEWAKRIPHFSSLPLDD
QVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIF
DRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKV
YASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTP
IDTFLMEMLEAP
Ligand information
Ligand IDPLM
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(O)=O
FormulaC16 H32 O2
NamePALMITIC ACID
ChEMBLCHEMBL82293
DrugBankDB03796
ZINCZINC000006072466
PDB chain7a78 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a78 Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		A343 Q346 F384 R387 L397 A398 L507
Binding residue
(residue number reindexed from 1)		A26 Q29 F67 R70 L80 A81 L190
Annotation score3
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:7a78, PDBe:7a78, PDBj:7a78
PDBsum7a78
PubMed33187070
UniProtP28702|RXRB_HUMAN Retinoic acid receptor RXR-beta (Gene Name=RXRB)

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