› 2iyt

X-ray diffraction
1.47Å resolution

Shikimate kinase from Mycobacterium tuberculosis in unliganded state, open LID (conf. A)

Released:
DOI: 10.2210/pdb2iyt/pdb
PDB entry 2iyt coloured by chain, front view.
PDB entry 2iyt coloured by chain, side view.
PDB entry 2iyt coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Mechanism of phosphoryl transfer catalyzed by shikimate kinase from Mycobacterium tuberculosis.
Hartmann MD, Bourenkov GP, Oberschall A, Strizhov N, Bartunik HD
J Mol Biol 364 411-23 (2006)
PMID: 17020768

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: 184 amino acids
Theoretical weight: 19.68 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
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

1 bound ligand:
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P43212
Unit cell:
a: 44.192Å b: 44.192Å c: 152.628Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.246
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

5 mentions without citation

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