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Related entries of code: 4pv5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qinRCSB PDB    PDBbind183aa, >1QIN_1|Chains... at 100%
2za0RCSB PDB    PDBbind184aa, >2ZA0_1|Chains... at 90%
3vw9RCSB PDB    PDBbind187aa, >3VW9_1|Chains... *
4kyhRCSB PDB    PDBbind184aa, >4KYH_1|Chains... at 90%
4kykRCSB PDB    PDBbind184aa, >4KYK_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4pv5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemouse glyoxalase I, mGLOI
Ligand NameCBW
EC.Number E.C.4.4.1.5
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=0.29uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Pharmacol.Sin. Vol. 36: pp. 1145-1150
Ligand Properties
Formula C30H46O4
Molecular Weight 470.684
Exact Mass 470.340
No. of atoms 80
No. of bonds 84
Polar Surface Area 74.6
LOGP Value 7.81      (Computed with XLOGP3)
6.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
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): Q9CPU0  
Entrez Gene IDNCBI Entrez Gene ID: 109801  
ASDInformation of known allosteric effects of PDB entries
 
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