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Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor

X-ray diffraction
1.9Å resolution
PDB entry 4cmi coloured by chain, front view.
PDB entry 4cmi coloured by chain, side view.
PDB entry 4cmi coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Pteridine reductase
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Multimeric state: hetero tetramer
Accessible surface area: 32211.84 Å2
Buried surface area: 19978.68 Å2
Dissociation area: 3,756.46 Å2
Dissociation energy (ΔGdiss): 53.27 kcal/mol
Dissociation entropy (TΔSdiss): 14.99 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-522284

Macromolecules

Pteridine reductase
Chains: A, D
Length: 288 amino acids
Theoretical weight: 30.69 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O76290 (Residues: 1-268; Coverage: 100%)
Gene name: PTR1
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
Pteridine reductase in PDB entry 4cmi, assembly 1, front view.
Pteridine reductase in PDB entry 4cmi, assembly 1, side view.
Pteridine reductase in PDB entry 4cmi, assembly 1, top view.
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Pteridine reductase
Chains: B, C
Length: 288 amino acids
Theoretical weight: 30.67 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O76290 (Residues: 1-268; Coverage: 100%)
Gene name: PTR1
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
Pteridine reductase in PDB entry 4cmi, assembly 1, front view.
Pteridine reductase in PDB entry 4cmi, assembly 1, side view.
Pteridine reductase in PDB entry 4cmi, assembly 1, top view.
Molecule details ›

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