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Related entries of code: 3bh3
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3bh3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcetoacetate decarboxylase
Ligand NamePNH
EC.Number E.C.4.1.1.4
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.7uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nature Vol. 459: pp. 393-397
Ligand Properties
Formula C5H10O
Molecular Weight 86.132
Exact Mass 86.073
No. of atoms 16
No. of bonds 15
Polar Surface Area 17.07
LOGP Value 0.78      (Computed with XLOGP3)
1.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
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): Q7NSA6  
Entrez Gene IDNCBI Entrez Gene ID: 24946939  
ASDInformation of known allosteric effects of PDB entries

 
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