Structure analysis

Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex.

X-ray diffraction
2.6Å resolution
Source organism: Leishmania major
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: homo tetramer
Accessible surface area: 37524.44 Å2
Buried surface area: 23400.71 Å2
Dissociation area: 4,328.81 Å2
Dissociation energy (ΔGdiss): 65.55 kcal/mol
Dissociation entropy (TΔSdiss): 15.22 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-169629
Assembly 2 (preferred)
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Multimeric state: homo tetramer
Accessible surface area: 37032.94 Å2
Buried surface area: 23228.68 Å2
Dissociation area: 4,292.5 Å2
Dissociation energy (ΔGdiss): 64.74 kcal/mol
Dissociation entropy (TΔSdiss): 15.21 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-169629

Macromolecules

Chains: A, B, C, D, E, F, G, H
Length: 307 amino acids
Theoretical weight: 32.65 KDa
Source organism: Leishmania major
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q01782 (Residues: 1-288; Coverage: 100%)
Gene names: HMTXR, L1063.01, LmjF23.0270, LmjF_23_0270, PTR1
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
SCOP: Tyrosine-dependent oxidoreductases

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