Structure of PDB 1uhl Chain A Binding Site BS02

Receptor Information
>1uhl 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]
EMPVDRILEAELAVEQSPNDPVTNICQAADKQLFTLVEWAKRIPHFSSLP
LDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVG
AIFDRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLR
EKVYASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIG
DTPIDTFLMEMLEA
Ligand information
Ligand IDMEI
InChIInChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
InChIKeyMNYBEULOKRVZKY-ATCPXPEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C
OpenEye OEToolkits 1.5.0CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C
CACTVS 3.341COC(C)(C)CCC[C@H](C)C\C=C\C(C)=C\C(O)=O
CACTVS 3.341COC(C)(C)CCC[CH](C)CC=CC(C)=CC(O)=O
ACDLabs 10.04O=C(O)\C=C(\C=C\CC(CCCC(OC)(C)C)C)C
FormulaC16 H28 O3
Name(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID;
METOPRENIC ACID
ChEMBL
DrugBankDB08175
ZINCZINC000002244163
PDB chain1uhl Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB1uhl Crystal structure of the heterodimeric complex of LXRalpha and RXRbeta ligand-binding domains in a fully agonistic conformation
Resolution2.9 Å
Binding residue
(original residue number in PDB)		I339 A343 L380 I381 F384 R387 A398 V413 C503 L507
Binding residue
(residue number reindexed from 1)		I25 A29 L66 I67 F70 R73 A84 V99 C189 L193
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1uhl, PDBe:1uhl, PDBj:1uhl
PDBsum1uhl
PubMed12970175
UniProtP28702|RXRB_HUMAN Retinoic acid receptor RXR-beta (Gene Name=RXRB)

[Back to BioLiP]