Brand  (β version)

PDB ID: 3JQC

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Ligands
Code Name Style Show Link
JU2 2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-D]pyrimidine-5-carbonitrile PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
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Structure summary

Code : 3JQC   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-D]pyrimidine-5-carbonitrile (JU2)
Release Data : 2009-12-08
Compound :
mol_id molecule chains
1 Pteridine reductase 1 A,B,C,D
ec: 1.5.1.33
fragment: UNP residues 102-369
Source :
mol_id organism_scientific expression_system
1 Trypanosoma brucei  (taxid:5691) Escherichia coli  (taxid:562)
gene: PTR1, Tb927.8.2210
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET15b
Authors : Tulloch, L.B., Hunter, W.N.
Keywords : PTERIDINE REDUCTASE, PTR1, TRYPANOSOMA BRUCEI, SHORT CHAIN DEHYDROGENASE, INHIBITOR, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.800 Å )
Citation :

Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.

Tulloch, L.B.,Martini, V.P.,Iulek, J.  et al.
(2010)  J.Med.Chem.  53 : 221 - 229

PubMed: 19916554
DOI: 10.1021/jm901059x

Reaction

Chain : A, B, C, D
UniProt : Q581W1 (Q581W1_TRYB2)
Reaction : -