› 4mvn

X-ray diffraction
1.7Å resolution

Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor

Released:
DOI: 10.2210/pdb4mvn/pdb
PDB entry 4mvn coloured by chain, front view.
PDB entry 4mvn coloured by chain, side view.
PDB entry 4mvn coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus NCTC 8325
Primary publication:
Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Burchacka E, Zdzalik M, Niemczyk JS, Pustelny K, Popowicz G, Wladyka B, Dubin A, Potempa J, Sienczyk M, Dubin G, Oleksyszyn J
Protein Sci 23 179-89 (2014)
PMID: 24375505

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173441 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease SplA Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 200 amino acids
Theoretical weight: 21.89 KDa
Source organism: Staphylococcus aureus subsp. aureus NCTC 8325
Expression system: Bacillus subtilis
UniProt:
  • Canonical: Q2FXC2 (Residues: 36-235; Coverage: 100%)
Gene names: SAOUHSC_01942, splA
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand I1S 4 x I1S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 73.131Å b: 81.626Å c: 133.787Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.209
Expression system: Bacillus subtilis

Quick links

Citations

2 review citations

ClpP Protease, a Promising Antimicrobial Target.
Moreno-Cinos et al. (2019)
1 more

1 mention without citation

Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Burchacka et al. (2014)