Structure of PDB 2baw Chain A Binding Site BS03

Receptor Information
>2baw Chain A (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKAFSKHIYNAYLKNFNMTKKKARSILTKAPFVIHDIETLWQAEKGLVWK
EISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEA
IFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFN
ALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANH
PDAQQLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKD
Ligand information
Ligand IDVCA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
InChIKeyUWHZIFQPPBDJPM-FPLPWBNLSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.370CCCCCC\C=C/CCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC=CCCCCCCCCCC(=O)O
CACTVS 3.370CCCCCCC=CCCCCCCCCCC(O)=O
FormulaC18 H34 O2
NameVACCENIC ACID;
(11E)-OCTADEC-11-ENOIC ACID
ChEMBLCHEMBL1236642
DrugBankDB04801
ZINCZINC000014881303
PDB chain2baw Chain A Residue 201 [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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PDB2baw Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C285 T289 H323 L339 H449 L469 Y473
Binding residue
(residue number reindexed from 1)		C60 T64 H98 L114 H224 L244 Y248
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:2baw, PDBe:2baw, PDBj:2baw
PDBsum2baw
PubMed16387648
UniProtQ03181|PPARD_HUMAN Peroxisome proliferator-activated receptor delta (Gene Name=PPARD)

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