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Related entries of code: 2wva
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2wva
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate decarboxylase from Zymomonas mobilis (ZmPDC)
Ligand NameTPU
EC.Number E.C.4.1.1.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=20pM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry, 49, 1727-1736
Ligand Properties
Formula C11H20N6O7P2
Molecular Weight 410.260
Exact Mass 410.087
No. of atoms 46
No. of bonds 47
Polar Surface Area 229.3
LOGP Value -2.81      (Computed with XLOGP3)
-0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 13
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): P06672  
Entrez Gene IDNCBI Entrez Gene ID: 58027105  
ASDInformation of known allosteric effects of PDB entries

 
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