› 3k55

X-ray diffraction
3.35Å resolution

Structure of beta hairpin deletion mutant of beta toxin from Staphylococcus aureus

Released:
DOI: 10.2210/pdb3k55/pdb
PDB entry 3k55 coloured by chain, front view.
PDB entry 3k55 coloured by chain, side view.
PDB entry 3k55 coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus RN4220
Primary publication:
Structure of a mutant β toxin from Staphylococcus aureus reveals domain swapping and conformational flexibility.
Kruse AC, Huseby MJ, Shi K, Digre J, Ohlendorf DH, Earhart CA
Acta Crystallogr Sect F Struct Biol Cryst Commun 67 438-41 (2011)
PMID: 21505235

Function and Biology Details

Reaction catalysed: 
Sphingomyelin + H(2)O = N-acylsphingosine + phosphocholine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108286 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endonuclease/exonuclease/phosphatase domain-containing protein Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Length: 306 amino acids
Theoretical weight: 34.75 KDa
Source organism: Staphylococcus aureus subsp. aureus RN4220
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A7LAI8 (Residues: 35-330; Coverage: 92%)
Sequence domains: Endonuclease/Exonuclease/phosphatase family
Structure domains: Endonuclease/exonuclease/phosphatase

Ligands and Environments

2 bound ligands:
Ligand CL 3 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: P21
Unit cell:
a: 151.377Å b: 134.473Å c: 156.99Å
α: 90° β: 116.89° γ: 90°
R-values:
R R work R free
0.243 0.241 0.281
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Small Molecule Inhibitors Targeting Biosynthesis of Ceramide, the Central Hub of the Sphingolipid Network.
Skácel et al. (2021)

2 mentions without citation

Computational insight into the protective mechanism of Allium iranicum Wendelbo. Alliaceae in a mouse model of Staphylococcosis: focus on dietary phytocannabinoid trans-caryophyllene.
Mohammed et al. (2021)
1 more