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Related entries of code: 1ik4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eghRCSB PDB    PDBbind152aa, >1EGH_1|Chains... *
1s89RCSB PDB    PDBbind152aa, >1S89_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b57RCSB PDB    PDBbindPGH
1tpwRCSB PDB    PDBbindPGH
1trdRCSB PDB    PDBbindPGH
2isvRCSB PDB    PDBbindPGH
2iswRCSB PDB    PDBbindPGH
2vxnRCSB PDB    PDBbindPGH
3c52RCSB PDB    PDBbindPGH
3taoRCSB PDB    PDBbindPGH
4delRCSB PDB    PDBbindPGH
Entry Information
PDB ID1ik4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemethylglyoxal synthase
Ligand NamePGH
EC.Number E.C.4.2.99.11
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=39nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v40 pp. 6805-18, 2001
Ligand Properties
Formula C2H7NO6P
Molecular Weight 172.054
Exact Mass 172.001
No. of atoms 17
No. of bonds 16
Polar Surface Area 132.84
LOGP Value -2.86      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
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): P0A731  
Entrez Gene IDNCBI Entrez Gene ID: 61754017  945574  
ASDInformation of known allosteric effects of PDB entries
 
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