› 5i4d

X-ray diffraction
1.75Å resolution

1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.

Released:
DOI: 10.2210/pdb5i4d/pdb
PDB entry 5i4d coloured by chain, front view.
PDB entry 5i4d coloured by chain, side view.
PDB entry 5i4d coloured by chain, top view.
Source organism: Staphylococcus aureus
Entry authors: Minasov G, Nocadello S, Shuvalova L, Filippova EV, Halavaty A, Dubrovska I, Bagnoli F, Falugi F, Bottomley M, Grandi G, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173506 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Staphylococcal superantigen-like 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 343 amino acids
Theoretical weight: 39.19 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2G0X7 (Residues: 31-356; Coverage: 100%)
Gene names: SAOUHSC_00386, ssl3
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NDG, GAL, SIA, FUC
Carbohydrate polymer
3 bound ligands:
Ligand PGE 1 x PGE
Ligand PG4 2 x PG4
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21212
Unit cell:
a: 85.975Å b: 166.881Å c: 34.144Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.161 0.202
Expression system: Escherichia coli BL21(DE3)

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