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Related entries of code: 1s89
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eghRCSB PDB    PDBbind152aa, >1EGH_1|Chains... *
1ik4RCSB PDB    PDBbind152aa, >1IK4_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1amkRCSB PDB    PDBbindPGA
1aw1RCSB PDB    PDBbindPGA
1eghRCSB PDB    PDBbindPGA
1htiRCSB PDB    PDBbindPGA
1kv5RCSB PDB    PDBbindPGA
1lyxRCSB PDB    PDBbindPGA
1lzoRCSB PDB    PDBbindPGA
1ml1RCSB PDB    PDBbindPGA
1pdzRCSB PDB    PDBbindPGA
2j27RCSB PDB    PDBbindPGA
2rkaRCSB PDB    PDBbindPGA
2v2cRCSB PDB    PDBbindPGA
2v2hRCSB PDB    PDBbindPGA
2ypiRCSB PDB    PDBbindPGA
3mohRCSB PDB    PDBbindPGA
4bi6RCSB PDB    PDBbindPGA
4bi7RCSB PDB    PDBbindPGA
Entry Information
PDB ID1s89
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemethylglyoxal synthase
Ligand NamePGA
EC.Number E.C.4.2.3.3
Resolution 2.22(Å)
Affinity (Kd/Ki/IC50)Ki=5.8uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 3802-13, 2004
Ligand Properties
Formula C2H6O6P
Molecular Weight 157.039
Exact Mass 156.990
No. of atoms 15
No. of bonds 14
Polar Surface Area 120.81
LOGP Value -1.24      (Computed with XLOGP3)
-1.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
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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