3JQC
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)
Replaces: 3BMISummary for 3JQC
Entry DOI | 10.2210/pdb3jqc/pdb |
Related | 3JQ6 3JQ7 3JQ8 3JQ9 3JQA 3JQB 3JQD 3JQE 3JQF 3JQG |
Descriptor | Pteridine reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... (4 entities in total) |
Functional Keywords | pteridine reductase, ptr1, trypanosoma brucei, short chain dehydrogenase, inhibitor, oxidoreductase |
Biological source | Trypanosoma brucei |
Total number of polymer chains | 4 |
Total formula weight | 126668.96 |
Authors | Tulloch, L.B.,Hunter, W.N. (deposition date: 2009-09-06, release date: 2009-12-08, Last modification date: 2023-09-06) |
Primary citation | Tulloch, L.B.,Martini, V.P.,Iulek, J.,Huggan, J.K.,Lee, J.H.,Gibson, C.L.,Smith, T.K.,Suckling, C.J.,Hunter, W.N. Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53:221-229, 2010 Cited by PubMed: 19916554DOI: 10.1021/jm901059x PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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