› 4xh5

X-ray diffraction
2.11Å resolution

Crystal structure of Salmonella typhimurium propionate kinase A88G mutant, in complex with AMPPNP and propionate

Released:
DOI: 10.2210/pdb4xh5/pdb
PDB entry 4xh5 coloured by chain, front view.
PDB entry 4xh5 coloured by chain, side view.
PDB entry 4xh5 coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Primary publication:
Structures of substrate- and nucleotide-bound propionate kinase from Salmonella typhimurium: substrate specificity and phosphate-transfer mechanism.
Murthy AM, Mathivanan S, Chittori S, Savithri HS, Murthy MR
Acta Crystallogr D Biol Crystallogr 71 1640-8 (2015)
PMID: 26249345

Function and Biology Details

Reaction catalysed: 
ATP + propanoate = ADP + propanoyl phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126546 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Propionate kinase Chain: A
Molecule details ›
Chain: A
Length: 411 amino acids
Theoretical weight: 44.84 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O06961 (Residues: 4-397; Coverage: 98%)
Gene names: STM3242, oxd-2, tdcD
Sequence domains: Acetokinase family
Structure domains: Nucleotidyltransferase; domain 5

Ligands and Environments

4 bound ligands:
Ligand SO4 1 x SO4
Ligand GOL 1 x GOL
Ligand ANP 1 x ANP
Ligand PPI 1 x PPI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P3121
Unit cell:
a: 111Å b: 111Å c: 66.44Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.175 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Utilization of multiple substrates by butyrate kinase from Listeria monocytogenes.
Sirobhushanam et al. (2017)

1 mention without citation

Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11β-HSD1 Inhibitors.
Osman et al. (2021)