› 3n2e

X-ray diffraction
2.53Å resolution

Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535

Released:
DOI: 10.2210/pdb3n2e/pdb
PDB entry 3n2e coloured by chain, front view.
PDB entry 3n2e coloured by chain, side view.
PDB entry 3n2e coloured by chain, top view.
Source organism: Helicobacter pylori 26695
Primary publication:
Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism.
Cheng WC, Chen YF, Wang HJ, Hsu KC, Lin SC, Chen TJ, Yang JM, Wang WC
PLoS One 7 e33481 (2012)
PMID: 22438938

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157388 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Shikimate kinase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 168 amino acids
Theoretical weight: 19 KDa
Source organism: Helicobacter pylori 26695
Expression system: Escherichia coli
UniProt:
  • Canonical: P56073 (Residues: 1-162; Coverage: 100%)
Gene names: HP_0157, aroK
Sequence domains: Shikimate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand OSA 2 x OSA
Ligand TLA 5 x TLA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL12B2
Spacegroup: C2
Unit cell:
a: 193.91Å b: 71.791Å c: 47.626Å
α: 90° β: 91.96° γ: 90°
R-values:
R R work R free
0.219 0.217 0.263
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Utility of the Biosynthetic Folate Pathway for Targets in Antimicrobial Discovery.
Bourne CR. (2014)
2 more

2 mentions without citation

Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism.
Cheng et al. (2012)
1 more