Structure of PDB 7bpz Chain A Binding Site BS02

Receptor Information
>7bpz Chain A (length=265) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETL
CMAEKTLVAKQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLN
DQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCD
IMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEG
IVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESD
AALHPLLQEIYRDMY
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 A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7bpz PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		C275 C276 Q277 T279 S280 Y314 L321 V332 H440 Y464
Binding residue
(residue number reindexed from 1)		C72 C73 Q74 T76 S77 Y111 L118 V129 H237 Y261
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bpz, PDBe:7bpz, PDBj:7bpz
PDBsum7bpz
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

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