› 2gyi

X-ray diffraction
1.6Å resolution

DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX

Released:
DOI: 10.2210/pdb2gyi/pdb
PDB entry 2gyi coloured by chain, front view.
PDB entry 2gyi coloured by chain, side view.
PDB entry 2gyi coloured by chain, top view.
Source organism: Streptomyces olivochromogenes
Primary publication:
Design, synthesis, and characterization of a potent xylose isomerase inhibitor, D-threonohydroxamic acid, and high-resolution X-ray crystallographic structure of the enzyme-inhibitor complex.
Allen KN, Lavie A, Petsko GA, Ringe D
Biochemistry 34 3742-9 (1995)
PMID: 7893671

Function and Biology Details

Reaction catalysed: 
Alpha-D-xylopyranose = alpha-D-xylufuranose
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147411 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Xylose isomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 386 amino acids
Theoretical weight: 42.84 KDa
Source organism: Streptomyces olivochromogenes
Expression system: Not provided
UniProt:
  • Canonical: P15587 (Residues: 2-387; Coverage: 100%)
Gene name: xylA
Sequence domains: Xylose isomerase-like TIM barrel
Structure domains: Divalent-metal-dependent TIM barrel enzymes

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand HYA 2 x HYA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21212
Unit cell:
a: 86.9Å b: 99.05Å c: 93.65Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.216 not available
Expression system: Not provided

Quick links

Citations

3 review citations

Perspectives on NMR in drug discovery: a technique comes of age.
Pellecchia et al. (2008)
2 more

4 mentions without citation

Mechanisms and free energies of enzymatic reactions.
Gao et al. (2006)
3 more