› 4nb4

X-ray diffraction
2.25Å resolution

Pantothenamide-bound Pantothenate kinase from Staphylococcus aureus

Released:
DOI: 10.2210/pdb4nb4/pdb
PDB entry 4nb4 coloured by chain, front view.
PDB entry 4nb4 coloured by chain, side view.
PDB entry 4nb4 coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus MRSA252
Primary publication:
Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
Hughes SJ, Antoshchenko T, Kim KP, Smil D, Park HW
Proteins 82 1542-8 (2014)
PMID: 24470271

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantothenate = ADP + (R)-4'-phosphopantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179650 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Type II pantothenate kinase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 285 amino acids
Theoretical weight: 31.33 KDa
Source organism: Staphylococcus aureus subsp. aureus MRSA252
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q6G7I0 (Residues: 1-267; Coverage: 100%)
Gene names: SAS2033, coaA, coaW
Sequence domains: Fumble
Structure domains: Nucleotidyltransferase; domain 5

Ligands and Environments

3 bound ligands:
Ligand ADP 8 x ADP
Ligand SH3 8 x SH3
Ligand MG 8 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 103.01Å b: 70.74Å c: 143.115Å
α: 90° β: 90.64° γ: 90°
R-values:
R R work R free
0.233 0.23 0.284
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Recent advances in targeting coenzyme A biosynthesis and utilization for antimicrobial drug development.
Moolman et al. (2014)
2 more