Structure of PDB 6l36 Chain B Binding Site BS02

Receptor Information
>6l36 Chain B (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCM
AEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFAN
LDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRK
PFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEK
MQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKK
TESDAALHPLLQEIYRDMY
Ligand information
Ligand IDGW9
InChIInChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyDNTSIBUQMRRYIU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
ACDLabs 10.04O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2
FormulaC13 H9 Cl N2 O3
Name2-chloro-5-nitro-N-phenylbenzamide
ChEMBLCHEMBL375270
DrugBankDB07863
ZINCZINC000000039173
PDB chain6l36 Chain B 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]
PDB6l36 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution3.301 Å
Binding residue
(original residue number in PDB)		A250 L254 C275
Binding residue
(residue number reindexed from 1)		A51 L55 C76
Annotation score1
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:6l36, PDBe:6l36, PDBj:6l36
PDBsum6l36
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

[Back to BioLiP]