› 2dfn

X-ray diffraction
1.93Å resolution

Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and shikimate at 1.9 angstrons of resolution

Released:
DOI: 10.2210/pdb2dfn/pdb
PDB entry 2dfn coloured by chain, front view.
PDB entry 2dfn coloured by chain, side view.
PDB entry 2dfn coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis.
Dias MV, Faím LM, Vasconcelos IB, de Oliveira JS, Basso LA, Santos DS, de Azevedo WF
Acta Crystallogr Sect F Struct Biol Cryst Commun 63 1-6 (2007)
PMID: 17183161

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
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 1 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: LNLS BEAMLINE D03B-MX1
Spacegroup: P3221
Unit cell:
a: 63.296Å b: 63.296Å c: 91.61Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.205 0.202 0.267
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Structural biology and drug discovery of difficult targets: the limits of ligandability.
Surade et al. (2012)
7 other articles

3 mentions without citation

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