Browse entries in the PDBbind-CN Database

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Related entries of code: 2zdx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zkjRCSB PDB    PDBbind394aa, >2ZKJ_1|Chains... at 99%
3d2rRCSB PDB    PDBbind394aa, >3D2R_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6elnRCSB PDB    PDBbindP4A
Entry Information
PDB ID2zdx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate dehydrogenase kinase isozyme 4
Ligand NameP4A
EC.Number E.C.2.7.11.2
Resolution 2.54(Å)
Affinity (Kd/Ki/IC50)IC50=648uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acta Crystallogr.,Sect.D Vol. 67: pp. 763-773
Ligand Properties
Formula C17H16N2O3
Molecular Weight 296.321
Exact Mass 296.116
No. of atoms 38
No. of bonds 40
Polar Surface Area 78.37
LOGP Value 3.16      (Computed with XLOGP3)
3.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): Q16654  
Entrez Gene IDNCBI Entrez Gene ID: 5166  
ASDInformation of known allosteric effects of PDB entries
 
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