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Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)

X-ray diffraction
2.1Å resolution
PDB entry 2wpe coloured by chain, front view.
PDB entry 2wpe coloured by chain, side view.
PDB entry 2wpe coloured by chain, top view.
Source organism: Trypanosoma brucei brucei TREU927
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Trypanothione reductase
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Multimeric state: homo dimer
Accessible surface area: 36284.75 Å2
Buried surface area: 11558.18 Å2
Dissociation area: 3,398.96 Å2
Dissociation energy (ΔGdiss): 56.44 kcal/mol
Dissociation entropy (TΔSdiss): 15.27 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-174385
Assembly 2
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Assembly Name: Trypanothione reductase
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Multimeric state: homo dimer
Accessible surface area: 36242.2 Å2
Buried surface area: 11647.38 Å2
Dissociation area: 3,449.9 Å2
Dissociation energy (ΔGdiss): 54.89 kcal/mol
Dissociation entropy (TΔSdiss): 15.29 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-174385

Macromolecules

Trypanothione reductase
Chains: A, B, C, D
Length: 495 amino acids
Theoretical weight: 53.5 KDa
Source organism: Trypanosoma brucei brucei TREU927
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q389T8 (Residues: 1-492; Coverage: 100%)
Gene name: Tb10.406.0520
Pfam:
InterPro:
CATH:
Trypanothione reductase in PDB entry 2wpe, assembly 1, front view.
Trypanothione reductase in PDB entry 2wpe, assembly 1, side view.
Trypanothione reductase in PDB entry 2wpe, assembly 1, top view.
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