Structure of PDB 4dk8 Chain A Binding Site BS03

Receptor Information
>4dk8 Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQLTAAQELMIQQLVAAQLQCNKRSFSKVTPWPQSRDARQQRFAHFTELA
IISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETE
CITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIA
INIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKL
VSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4dk8 Chain A Residue 503 [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]
PDB4dk8 Discovery of a new binding mode for a series of liver X receptor agonists.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Q235 E281 E315
Binding residue
(residue number reindexed from 1)		Q18 E56 E90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006629 lipid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4dk8, PDBe:4dk8, PDBj:4dk8
PDBsum4dk8
PubMed22406115
UniProtP55055|NR1H2_HUMAN Oxysterols receptor LXR-beta (Gene Name=NR1H2)

[Back to BioLiP]