› 4y0a

X-ray diffraction
1.91Å resolution

Shikimate kinase from Acinetobacter baumannii in complex with shikimate

Released:
DOI: 10.2210/pdb4y0a/pdb
PDB entry 4y0a coloured by chain, front view.
PDB entry 4y0a coloured by chain, side view.
PDB entry 4y0a coloured by chain, top view.
Source organism: Acinetobacter baumannii AB307-0294
Primary publication:
Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate.
Sutton KA, Breen J, MacDonald U, Beanan JM, Olson R, Russo TA, Schultz LW, Umland TC
Acta Crystallogr D Biol Crystallogr 71 1736-44 (2015)
PMID: 26249354

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-102453 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Shikimate kinase Chain: A
Molecule details ›
Chain: A
Length: 179 amino acids
Theoretical weight: 20.36 KDa
Source organism: Acinetobacter baumannii AB307-0294
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0M3KL09 (Residues: 1-179; Coverage: 100%)
Gene names: ABBFA_000324, aroK
Sequence domains: Shikimate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand SKM 1 x SKM
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: I212121
Unit cell:
a: 81.98Å b: 85.81Å c: 112.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.235
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 citation in other articles

Biochemical, Kinetic, and Computational Structural Characterization of Shikimate Kinase from Methicillin-Resistant Staphylococcus aureus.
Favela-Candia et al. (2019)
3 more

1 mention without citation

Targeting Shikimate Kinase Pathway of Acinetobacter baumannii: A Structure-Based Computational Approach to Identify Antibacterial Compounds.
Shil et al. (2023)