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Related entries of code: 4v25
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2bu5RCSB PDB    PDBbind394aa, >2BU5_1|Chain... at 100%
4mp2RCSB PDB    PDBbind400aa, >4MP2_1|Chain... at 99%
4mp7RCSB PDB    PDBbind400aa, >4MP7_1|Chain... at 99%
4mpcRCSB PDB    PDBbind400aa, >4MPC_1|Chain... at 99%
4mpeRCSB PDB    PDBbind400aa, >4MPE_1|Chain... at 99%
4mpnRCSB PDB    PDBbind400aa, >4MPN_1|Chain... at 99%
5j6aRCSB PDB    PDBbind400aa, >5J6A_1|Chain... at 99%
5j71RCSB PDB    PDBbind400aa, >5J71_1|Chain... at 99%
5m4kRCSB PDB    PDBbind408aa, >5M4K_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4v25
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name[PYRUVATE DEHYDROGENASE (ACETYL-TRANSFERRING)] KINASE ISOZYME 2, MITOCHONDRIAL PDK2
Ligand NameSZ6
EC.Number E.C.2.7.11.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=84nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Oncotarget Vol. 5: pp. 12862
Ligand Properties
Formula C28H23ClF2N4O4
Molecular Weight 552.956
Exact Mass 552.138
No. of atoms 62
No. of bonds 65
Polar Surface Area 115.65
LOGP Value 5.51      (Computed with XLOGP3)
5.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): Q15119  
Entrez Gene IDNCBI Entrez Gene ID: 5164  
ASDInformation of known allosteric effects of PDB entries
 
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