› 1u8a

X-ray diffraction
2.15Å resolution

Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution

Released:
DOI: 10.2210/pdb1u8a/pdb
PDB entry 1u8a coloured by chain, front view.
PDB entry 1u8a coloured by chain, side view.
PDB entry 1u8a coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase.
Dhaliwal B, Nichols CE, Ren J, Lockyer M, Charles I, Hawkins AR, Stammers DK
FEBS Lett 574 49-54 (2004)
PMID: 15358538

Function and Biology Details

Reaction catalysed: 
ATP + shikimate = ADP + shikimate 3-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162025 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Shikimate kinase Chain: A
Molecule details ›
Chain: A
Length: 176 amino acids
Theoretical weight: 18.61 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPY3 (Residues: 1-176; Coverage: 100%)
Gene names: MTCY159.17, Rv2539c, aroK
Sequence domains: Shikimate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand CL 3 x CL
Ligand ADP 1 x ADP
Ligand SKM 1 x SKM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3221
Unit cell:
a: 63.7Å b: 63.7Å c: 91.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.208 0.276
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Structural biology and drug discovery of difficult targets: the limits of ligandability.
Surade et al. (2012)
1 more

3 mentions without citation

Selective Mycobacterium tuberculosis Shikimate Kinase Inhibitors as Potential Antibacterials.
Gordon et al. (2015)
2 more