Structure of PDB 2b50 Chain B Binding Site BS04

Receptor Information
>2b50 Chain B (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGHTAPFVIHDIETLWQ
AEKGLVWKLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLN
DQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSD
IIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDT
ILRALEFHLQANHPDAQQLFPKLLQKMADLRQLVTEHAQMMQRIKKTETE
TSLHPLLQEIYKD
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 chain2b50 Chain B Residue 2001 [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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PDB2b50 Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C285 T289 H323 V341 H449 L469 Y473
Binding residue
(residue number reindexed from 1)		C73 T77 H111 V129 H237 L257 Y261
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:2b50, PDBe:2b50, PDBj:2b50
PDBsum2b50
PubMed16405912
UniProtQ03181|PPARD_HUMAN Peroxisome proliferator-activated receptor delta (Gene Name=PPARD)

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