Structure analysis

Crystal structure of HLA-DR1/TPI(23-37) complexed with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2)

X-ray diffraction
1.93Å resolution
Assembly composition:
hetero tetramer (preferred)
Entry contents: 4 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero tetramer
Accessible surface area: 28100 Å2
Buried surface area: 8500 Å2
Dissociation area: 650 Å2
Dissociation energy (ΔGdiss): -3 kcal/mol
Dissociation entropy (TΔSdiss): 13 kcal/mol
Interface energy (ΔGint): -43 kcal/mol
Symmetry number: 1

Macromolecules

Chain: D
Length: 239 amino acids
Theoretical weight: 27.72 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Best match: P0A0L5 (Residues: 28-266)
Gene name: entC3

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Chain: C
Length: 15 amino acids
Theoretical weight: 1.47 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Best match: P60174 (Residues: 60-74)
Gene names: TPI, TPI1

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Chain: A
Length: 179 amino acids
Theoretical weight: 20.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Best match: P01903 (Residues: 29-207)
Gene names: HLA-DRA, HLA-DRA1

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Chain: B
Length: 190 amino acids
Theoretical weight: 22.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Best match: P04229 (Residues: 30-219)
Gene name: HLA-DRB1

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