Structure analysis

Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin

X-ray diffraction
1.8Å resolution
Source organism: Bos taurus
Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1
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Multimeric state: hetero dimer
Accessible surface area: 12941.77 Å2
Buried surface area: 2940.95 Å2
Dissociation area: 799.19 Å2
Dissociation energy (ΔGdiss): 5.58 kcal/mol
Dissociation entropy (TΔSdiss): 10.6 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133428
Assembly 2 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 12730.54 Å2
Buried surface area: 2265.2 Å2
Dissociation area: 783.05 Å2
Dissociation energy (ΔGdiss): 4.63 kcal/mol
Dissociation entropy (TΔSdiss): 10.52 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133428
Assembly 3
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Multimeric state: hetero tetramer
Accessible surface area: 22999.9 Å2
Buried surface area: 7861.1 Å2
Dissociation area: 2,002.63 Å2
Dissociation energy (ΔGdiss): 33.36 kcal/mol
Dissociation entropy (TΔSdiss): 13.73 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-133448
Assembly 4
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Multimeric state: hetero dimer
Accessible surface area: 13554.93 Å2
Buried surface area: 1743.72 Å2
Dissociation area: 437.85 Å2
Dissociation energy (ΔGdiss): 7.08 kcal/mol
Dissociation entropy (TΔSdiss): 10.38 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133428
Assembly 5
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Multimeric state: hetero dimer
Accessible surface area: 13487.79 Å2
Buried surface area: 2089.62 Å2
Dissociation area: 444.23 Å2
Dissociation energy (ΔGdiss): 7.03 kcal/mol
Dissociation entropy (TΔSdiss): 10.43 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133428

Macromolecules

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