Structure of PDB 7bpy Chain A Binding Site BS03

Receptor Information
>7bpy Chain A (length=271) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETL
CMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGF
ANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSL
RKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHI
EKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQII
KKTESDAALHPLLQEIYRDMY
Ligand information
Ligand IDE0O
InChIInChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKeyTXCGAZHTZHNUAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)Oc1ccc(cc1)Cl
CACTVS 3.385CC(C)(Oc1ccc(Cl)cc1)C(O)=O
FormulaC10 H11 Cl O3
Name2-(4-chloranylphenoxy)-2-methyl-propanoic acid
ChEMBLCHEMBL683
DrugBank
ZINCZINC000000001187
PDB chain7bpy Chain A Residue 502 [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]
PDB7bpy PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		C275 T279 V332 A333
Binding residue
(residue number reindexed from 1)		C78 T82 V135 A136
Annotation score1
Binding affinityBindingDB: EC50=55000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
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:7bpy, PDBe:7bpy, PDBj:7bpy
PDBsum7bpy
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

[Back to BioLiP]