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The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius

X-ray diffraction
1.9Å resolution
PDB entry 1nw2 coloured by chain, front view.
PDB entry 1nw2 coloured by chain, side view.
PDB entry 1nw2 coloured by chain, top view.
Source organism: Alicyclobacillus acidocaldarius
Assemblies composition:
homo tetramer (preferred)
homo octamer
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: homo tetramer
Accessible surface area: 17846.92 Å2
Buried surface area: 6710.34 Å2
Dissociation area: 2,418.41 Å2
Dissociation energy (ΔGdiss): 7.45 kcal/mol
Dissociation entropy (TΔSdiss): 34.29 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-160431
Assembly 2
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Assembly Name: Thioredoxin
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Multimeric state: homo tetramer
Accessible surface area: 17879.67 Å2
Buried surface area: 6286.35 Å2
Dissociation area: 2,466.49 Å2
Dissociation energy (ΔGdiss): 5.86 kcal/mol
Dissociation entropy (TΔSdiss): 34.23 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-160431
Assembly 3
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Assembly Name: Thioredoxin
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Multimeric state: homo octamer
Accessible surface area: 33336.58 Å2
Buried surface area: 15386.7 Å2
Dissociation area: 5,031.13 Å2
Dissociation energy (ΔGdiss): 24.99 kcal/mol
Dissociation entropy (TΔSdiss): 61.02 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-160432
Assembly 4
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Assembly Name: Thioredoxin
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Multimeric state: homo octamer
Accessible surface area: 34974.87 Å2
Buried surface area: 13748.42 Å2
Dissociation area: 3,059.76 Å2
Dissociation energy (ΔGdiss): 8.91 kcal/mol
Dissociation entropy (TΔSdiss): 36.8 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-160432
Assembly 5
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Assembly Name: Thioredoxin
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Multimeric state: homo octamer
Accessible surface area: 35022.79 Å2
Buried surface area: 13710.34 Å2
Dissociation area: 402.72 Å2
Dissociation energy (ΔGdiss): 6.18 kcal/mol
Dissociation entropy (TΔSdiss): 12.7 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-160432
Assembly 6
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Assembly Name: Thioredoxin
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Multimeric state: homo octamer
Accessible surface area: 35274.14 Å2
Buried surface area: 13449.14 Å2
Dissociation area: 5,125.95 Å2
Dissociation energy (ΔGdiss): 0.73 kcal/mol
Dissociation entropy (TΔSdiss): 81.34 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-160432

Macromolecules

Thioredoxin
Chains: A, B, C, D, E, F, G, H
Length: 105 amino acids
Theoretical weight: 11.56 KDa
Source organism: Alicyclobacillus acidocaldarius
Expression system: Escherichia coli
UniProt:
  • Canonical: P80579 (Residues: 1-105; Coverage: 100%)
Gene name: trxA
Pfam: Thioredoxin
InterPro:
CATH: Glutaredoxin
SCOP: Thioltransferase
Thioredoxin in PDB entry 1nw2, assembly 1, front view.
Thioredoxin in PDB entry 1nw2, assembly 1, side view.
Thioredoxin in PDB entry 1nw2, assembly 1, top view.
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