Structure of PDB 6kb5 Chain A Binding Site BS02

Receptor Information
>6kb5 Chain A (length=264) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLKSLAKRIYEAYLKNFNMNKVKARVILSGNPPFVIHDMETLCMAEKTL
VAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLND
QVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDI
MEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGI
VHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDA
ALHPLLQEIYRDMY
Ligand information
Ligand IDITY
InChIInChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyMGLDCXPLYOWQRP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
CACTVS 3.385CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
FormulaC20 H24 O2
Nameicosa-5,8,11,14-tetraynoic acid;
5,8,11,14-eicosatetraynoic acid
ChEMBLCHEMBL458328
DrugBank
ZINCZINC000003871082
PDB chain6kb5 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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PDB6kb5 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		A250 E251 L254 F273 C276 T279 S280 Y314 M330 V332 M355 H440
Binding residue
(residue number reindexed from 1)		A46 E47 L50 F69 C72 T75 S76 Y110 M126 V128 M151 H236
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:6kb5, PDBe:6kb5, PDBj:6kb5
PDBsum6kb5
PubMed33205029
UniProtQ07869|PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (Gene Name=PPARA)

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