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Related entries of code: 5m4k
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%
4v25RCSB PDB    PDBbind408aa, >4V25_1|Chain... *
5j6aRCSB PDB    PDBbind400aa, >5J6A_1|Chain... at 99%
5j71RCSB PDB    PDBbind400aa, >5J71_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5m4k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate dehydrogenase kinase II
Ligand Name7F9
EC.Number E.C.2.7.11.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=2.17uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 2271-2286
Ligand Properties
Formula C18H20N2O5
Molecular Weight 344.362
Exact Mass 344.137
No. of atoms 45
No. of bonds 46
Polar Surface Area 99.1
LOGP Value 2.46      (Computed with XLOGP3)
2.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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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