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Crystal structure of Staphylococcal Enterotoxin B in complex with an affinity matured mouse TCR VBeta8.2 protein, G5-8

X-ray diffraction
2.95Å resolution
PDB entry 3r8b coloured by chain, front view.
PDB entry 3r8b coloured by chain, side view.
PDB entry 3r8b coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16096.4 Å2
Buried surface area: 2130.38 Å2
Dissociation area: 765.42 Å2
Dissociation energy (ΔGdiss): 2.07 kcal/mol
Dissociation entropy (TΔSdiss): 11.55 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 2
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16104.25 Å2
Buried surface area: 2088.29 Å2
Dissociation area: 762.78 Å2
Dissociation energy (ΔGdiss): 1.36 kcal/mol
Dissociation entropy (TΔSdiss): 11.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 3
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 15896.33 Å2
Buried surface area: 1764.91 Å2
Dissociation area: 756.47 Å2
Dissociation energy (ΔGdiss): 0.82 kcal/mol
Dissociation entropy (TΔSdiss): 11.54 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 4
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 15966.55 Å2
Buried surface area: 1906.14 Å2
Dissociation area: 762.39 Å2
Dissociation energy (ΔGdiss): 1.25 kcal/mol
Dissociation entropy (TΔSdiss): 11.53 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 5
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16538.99 Å2
Buried surface area: 2239.65 Å2
Dissociation area: 773.26 Å2
Dissociation energy (ΔGdiss): 2.55 kcal/mol
Dissociation entropy (TΔSdiss): 11.61 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 6
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16068.24 Å2
Buried surface area: 1849.59 Å2
Dissociation area: 749.9 Å2
Dissociation energy (ΔGdiss): 0.05 kcal/mol
Dissociation entropy (TΔSdiss): 11.55 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 7
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16000.71 Å2
Buried surface area: 2026.16 Å2
Dissociation area: 765.8 Å2
Dissociation energy (ΔGdiss): 3.04 kcal/mol
Dissociation entropy (TΔSdiss): 11.54 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431
Assembly 8
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Assembly Name: Enterotoxin type B and TR-beta light chain
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Multimeric state: hetero dimer
Accessible surface area: 16071.55 Å2
Buried surface area: 1892.04 Å2
Dissociation area: 751.48 Å2
Dissociation energy (ΔGdiss): 0.66 kcal/mol
Dissociation entropy (TΔSdiss): 11.51 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208431

Macromolecules

Enterotoxin type B
Chains: A, C, E, G, I, K, M, O
Length: 239 amino acids
Theoretical weight: 28.41 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P01552 (Residues: 28-266; Coverage: 100%)
Gene name: entB
Pfam:
InterPro:
CATH:
Enterotoxin type B in PDB entry 3r8b, assembly 1, front view.
Enterotoxin type B in PDB entry 3r8b, assembly 1, side view.
Enterotoxin type B in PDB entry 3r8b, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P01552  
123920406080100120140160180200220
 
100200
UniProt
P01552
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
Molecule details ›

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G5-8
Chains: B, D, F, H, J, L, N, P
Length: 125 amino acids
Theoretical weight: 13.82 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
InterPro:
CATH: Immunoglobulins
G5-8 in PDB entry 3r8b, assembly 1, front view.
G5-8 in PDB entry 3r8b, assembly 1, side view.
G5-8 in PDB entry 3r8b, assembly 1, top view.
1125102030405060708090100110120
 
50100
Chains
RSRZ Outlier Chain B (auth B)
Chain B (auth B)
Chain D (auth D)
RSRZ Outlier Chain F (auth F)
Chain F (auth F)
Chain H (auth H)
RSRZ Outlier Chain J (auth J)
Chain J (auth J)
Chain L (auth L)
RSRZ Outlier Chain N (auth N)
Chain N (auth N)
RSRZ Outlier Chain P (auth P)
Chain P (auth P)
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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