Structure analysis

CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE

X-ray diffraction
2.2Å resolution
Source organism: Tobacco etch virus
Assemblies composition:
hetero dimer (preferred)
hetero hexadecamer
hetero octamer
hetero tetramer
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 10542.43 Å2
Buried surface area: 2009.11 Å2
Dissociation area: 878.26 Å2
Dissociation energy (ΔGdiss): 11.91 kcal/mol
Dissociation entropy (TΔSdiss): 7.64 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137891
Assembly 2
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Multimeric state: hetero dimer
Accessible surface area: 10523.84 Å2
Buried surface area: 2005.07 Å2
Dissociation area: 878.35 Å2
Dissociation energy (ΔGdiss): 12.21 kcal/mol
Dissociation entropy (TΔSdiss): 7.63 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137891
Assembly 3
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Multimeric state: hetero hexadecamer
Accessible surface area: 73710.59 Å2
Buried surface area: 26654.18 Å2
Dissociation area: 1,793.24 Å2
Dissociation energy (ΔGdiss): -9.11 kcal/mol
Dissociation entropy (TΔSdiss): 43.03 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-137897
Assembly 4
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Multimeric state: hetero octamer
Accessible surface area: 37365.14 Å2
Buried surface area: 12796.83 Å2
Dissociation area: 636.15 Å2
Dissociation energy (ΔGdiss): -4.39 kcal/mol
Dissociation entropy (TΔSdiss): 13.56 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-137896
Assembly 5
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Multimeric state: hetero tetramer
Accessible surface area: 19320.43 Å2
Buried surface area: 5760.03 Å2
Dissociation area: 1,756.61 Å2
Dissociation energy (ΔGdiss): 24.06 kcal/mol
Dissociation entropy (TΔSdiss): 15.33 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-137895

Macromolecules

Chains: A, B
Length: 243 amino acids
Theoretical weight: 28 KDa
Source organism: Tobacco etch virus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04517 (Residues: 2038-2273; Coverage: 8%)
Pfam: Peptidase family C4
InterPro:
CATH: Trypsin-like serine proteases
SCOP: Viral proteases

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Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.16 KDa
Source organism: Tobacco etch virus
Expression system: Not provided
UniProt:
  • Canonical: P04517 (Residues: 2785-2794; Coverage: 0%)

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