Structure of PDB 6kb1 Chain A Binding Site BS02

Receptor Information
>6kb1 Chain A (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKSNNPPFVIHDMETLCM
AEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFAN
LDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRK
PFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEK
MQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKK
TESDAALHPLLQEIYRDMY
Ligand information
Ligand IDT4T
InChIInChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPBCWPPBAWQYOO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCSCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCSCC(=O)O
FormulaC16 H32 O2 S
Name2-tetradecylsulfanylethanoic acid
ChEMBLCHEMBL187734
DrugBank
ZINCZINC000008035065
PDB chain6kb1 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kb1 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		F273 C276 S280 Y314 V332 M355 H440
Binding residue
(residue number reindexed from 1)		F74 C77 S81 Y115 V133 M156 H241
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6kb1, PDBe:6kb1, PDBj:6kb1
PDBsum6kb1
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

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