› 2r61

X-ray diffraction
2.75Å resolution

Crystal structure of the Staphylococcal superantigen-like protein SSL5 in complex with sialyl-Lewis X at pH 7.4

Released:
DOI: 10.2210/pdb2r61/pdb
PDB entry 2r61 coloured by chain, front view.
PDB entry 2r61 coloured by chain, side view.
PDB entry 2r61 coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Crystal structures of the staphylococcal toxin SSL5 in complex with sialyl Lewis X reveal a conserved binding site that shares common features with viral and bacterial sialic acid binding proteins.
Baker HM, Basu I, Chung MC, Caradoc-Davies T, Fraser JD, Baker EN
J Mol Biol 374 1298-308 (2007)
PMID: 17996251

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195637 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Exotoxin Chain: A
Molecule details ›
Chain: A
Length: 208 amino acids
Theoretical weight: 24.37 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9ZFS6 (Residues: 31-234; Coverage: 100%)
Gene names: ERS329596_02062, NCTC7878_00467, SAMEA1531725_02062, set3
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, GAL, SIA, FUC
Carbohydrate polymer
3 bound ligands:
Ligand CL 1 x CL
Ligand SRT 1 x SRT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P43212
Unit cell:
a: 52.223Å b: 52.223Å c: 236.657Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.209 0.269
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Food poisoning and Staphylococcus aureus enterotoxins.
Argudín et al. (2010)
11 more

2 mentions without citation

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.
Guvench et al. (2011)
1 more