Structure of PDB 1pq9 Chain A Binding Site BS01

Receptor Information
>1pq9 Chain A (length=232) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPRDARQQRFAHFTELAI
ISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETEC
ITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAI
NIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLV
SLRTLSSVHSEQVFALRLQDKKLPPLLSEIWD
Ligand information
Ligand IDBNS
InChIInChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKeySRSXLGNVWSONIS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)S(=O)(=O)O
CACTVS 3.370O[S](=O)(=O)c1ccccc1
ACDLabs 12.01O=S(=O)(O)c1ccccc1
FormulaC6 H6 O3 S
Namebenzenesulfonic acid
ChEMBLCHEMBL1422641
DrugBank
ZINCZINC000001555312
PDB chain1pq9 Chain A Residue 1500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pq9 The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F271 S278 F329
Binding residue
(residue number reindexed from 1)		F45 S52 F103
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1pq9, PDBe:1pq9, PDBj:1pq9
PDBsum1pq9
PubMed12819202
UniProtP55055|NR1H2_HUMAN Oxysterols receptor LXR-beta (Gene Name=NR1H2)

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