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Related entries of code: 2q8h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2q8gRCSB PDB    PDBbind407aa, >2Q8G_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2q8h
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePyruvate dehydrogenase kinase (PDK1) isoforms
Ligand NameTF4
EC.Number E.C.2.7.11.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=1mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Structure Vol. 15: pp. 992-1004
Ligand Properties
Formula C2H2Cl2O2
Molecular Weight 128.942
Exact Mass 127.943
No. of atoms 8
No. of bonds 7
Polar Surface Area 37.3
LOGP Value 2.02      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q15118  
Entrez Gene IDNCBI Entrez Gene ID: 5163  
ASDInformation of known allosteric effects of PDB entries

 
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