Structure of PDB 7bpz Chain C Binding Site BS02

Receptor Information
>7bpz Chain C (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAE
KTLVQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLL
KYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKF
DFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLR
LHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPL
LQEIYRDMY
Ligand information
Ligand IDPEM
InChIInChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIIBYAHWJQTYFKB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl
ACDLabs 10.04O=C(c1ccc(Cl)cc1)NCCc2ccc(OC(C(=O)O)(C)C)cc2
FormulaC19 H20 Cl N O4
Name2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID
ChEMBLCHEMBL264374
DrugBankDB01393
ZINCZINC000003956919
PDB chain7bpz Chain C Residue 501 [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]
PDB7bpz PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		F273 C276 Q277 T279 S280 Y314 V332 M355 H440 Y464
Binding residue
(residue number reindexed from 1)		F64 C67 Q68 T70 S71 Y105 V123 M146 H231 Y255
Annotation score1
Binding affinityBindingDB: EC50=50000nM
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:7bpz, PDBe:7bpz, PDBj:7bpz
PDBsum7bpz
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

[Back to BioLiP]