› 1l4u

X-ray diffraction
1.8Å resolution

CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION

Released:
DOI: 10.2210/pdb1l4u/pdb
PDB entry 1l4u coloured by chain, front view.
PDB entry 1l4u coloured by chain, side view.
PDB entry 1l4u coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
Gu Y, Reshetnikova L, Li Y, Wu Y, Yan H, Singh S, Ji X
J Mol Biol 319 779-89 (2002)
PMID: 12054870

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

5 bound ligands:
Ligand PT 1 x PT
Ligand MG 1 x MG
Ligand CL 6 x CL
Ligand ADP 1 x ADP
Ligand EPE 1 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X9B
Spacegroup: P3221
Unit cell:
a: 63.83Å b: 63.83Å c: 91.92Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.221 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Anaerobic catabolism of aromatic compounds: a genetic and genomic view.
Carmona et al. (2009)
3 more

5 mentions without citation

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