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Crystal structures of thioredoxin with mesna at 2.8A resolution

X-ray diffraction
2.8Å resolution
PDB entry 4pol coloured by chain, front view.
PDB entry 4pol coloured by chain, side view.
PDB entry 4pol coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo tetramer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Thioredoxin
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Multimeric state: monomeric
Accessible surface area: 5898.87 Å2
Buried surface area: 483.89 Å2
Dissociation area: 124.03 Å2
Dissociation energy (ΔGdiss): -0.27 kcal/mol
Dissociation entropy (TΔSdiss): 1.88 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145348
Assembly 2
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Assembly Name: Thioredoxin
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Multimeric state: monomeric
Accessible surface area: 5939.99 Å2
Buried surface area: 486.84 Å2
Dissociation area: 123.16 Å2
Dissociation energy (ΔGdiss): -0.45 kcal/mol
Dissociation entropy (TΔSdiss): 1.89 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145348
Assembly 3
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Assembly Name: Thioredoxin
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Multimeric state: monomeric
Accessible surface area: 6840.6 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145348
Assembly 4
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Assembly Name: Thioredoxin
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Multimeric state: monomeric
Accessible surface area: 6864.23 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145348
Assembly 5
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Assembly Name: Thioredoxin
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Multimeric state: homo tetramer
Accessible surface area: 21839.07 Å2
Buried surface area: 4667.74 Å2
Dissociation area: 1,848.5 Å2
Dissociation energy (ΔGdiss): -1.44 kcal/mol
Dissociation entropy (TΔSdiss): 34.14 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-145354
Assembly 6
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Assembly Name: Thioredoxin
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Multimeric state: homo tetramer
Accessible surface area: 21339.24 Å2
Buried surface area: 5175.18 Å2
Dissociation area: 1,247.49 Å2
Dissociation energy (ΔGdiss): 7.66 kcal/mol
Dissociation entropy (TΔSdiss): 22.95 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-145354

Macromolecules

Thioredoxin
Chains: A, B, C, D
Length: 109 amino acids
Theoretical weight: 12.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Best match: P10599 (Residues: 1-105)
Gene names: TRDX, TRX, TRX1, TXN
Thioredoxin in PDB entry 4pol, assembly 1, front view.
Thioredoxin in PDB entry 4pol, assembly 1, side view.
Thioredoxin in PDB entry 4pol, assembly 1, top view.
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