› 1s8a

X-ray diffraction
2.2Å resolution

H98Q Mutant of Methylglyoxal Synthase from E. coli complexed with Phosphoglycolic Acid

Released:
DOI: 10.2210/pdb1s8a/pdb
PDB entry 1s8a coloured by chain, front view.
PDB entry 1s8a coloured by chain, side view.
PDB entry 1s8a coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Mutagenic studies on histidine 98 of methylglyoxal synthase: effects on mechanism and conformational change.
Marks GT, Susler M, Harrison DH
Biochemistry 43 3802-13 (2004)
PMID: 15049687

Function and Biology Details

Reaction catalysed: 
Glycerone phosphate = methylglyoxal + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141519 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Methylglyoxal synthase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 152 amino acids
Theoretical weight: 16.93 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A731 (Residues: 1-152; Coverage: 100%)
Gene names: JW5129, b0963, mgsA, yccG
Sequence domains: MGS-like domain
Structure domains: Methylglyoxal synthase-like domain

Ligands and Environments

1 bound ligand:
Ligand PGA 6 x PGA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 53.076Å b: 129.96Å c: 178.771Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.192 0.227
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Selective prediction of interaction sites in protein structures with THEMATICS.
Wei et al. (2007)
8 more

2 mentions without citation

Binding pocket optimization by computational protein design.
Malisi et al. (2012)
1 more