› 3mfg

X-ray diffraction
2.37Å resolution

Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)

Released:
DOI: 10.2210/pdb3mfg/pdb
PDB entry 3mfg coloured by chain, front view.
PDB entry 3mfg coloured by chain, side view.
PDB entry 3mfg coloured by chain, top view.
Source organisms:
Entry authors: Bonsor DA, Sundberg EJ

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
monomeric
Assembly name:
PDBe Complex ID:
PDB-CPX-101914 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Toxic shock syndrome toxin-1 Chain: A
Molecule details ›
Chain: A
Length: 194 amino acids
Theoretical weight: 22.1 KDa
Source organism: Staphylococcus aureus subsp. aureus N315
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0H3JMU6 (Residues: 41-234; Coverage: 90%)
Gene name: tst
Structure domains:
Ig-like domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 118 amino acids
Theoretical weight: 12.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A5B4 (Residues: 15-110; Coverage: 99%)
Gene names: TCRBV2S1, TRBV20-1
Sequence domains: Immunoglobulin V-set domain
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: I422
Unit cell:
a: 242.62Å b: 242.62Å c: 47.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.234 0.283
Expression system: Escherichia coli

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