1W0C
Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex.
Summary for 1W0C
| Entry DOI | 10.2210/pdb1w0c/pdb |
| Related | 1E7W 1E92 |
| Descriptor | PTERIDINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2,4,6-TRIAMINOQUINAZOLINE, ... (4 entities in total) |
| Functional Keywords | oxidoreductase, enzyme inhibitor, pterin, short-chain reductase, leishmania, methotrexate, trypanosoma, nadp, methotrexate resistance |
| Biological source | LEISHMANIA MAJOR |
| Total number of polymer chains | 8 |
| Total formula weight | 268699.73 |
| Authors | Mcluskey, K.,Gibellini, F.,Carvalho, P.,Avery, M.,Hunter, W. (deposition date: 2004-06-02, release date: 2004-09-30, Last modification date: 2023-12-13) |
| Primary citation | Mcluskey, K.,Gibellini, F.,Carvalho, P.,Avery, M.,Hunter, W. Inhibition of Leishmania Major Pteridine Reductase by 2,4,6-Triaminoquinazoline: Structure of the Nadph Ternary Complex Acta Crystallogr.,Sect.D, 60:1780-, 2004 Cited by PubMed Abstract: The structure of Leishmania major pteridine reductase (PTR1) in complex with NADPH and the inhibitor 2,4,6-triaminoquinazoline (TAQ) has been solved in a new crystal form by molecular replacement and refined to 2.6 A resolution. The inhibitor mimics a fragment, the pterin head group, of the archetypal antifolate drug methotrexate (MTX) and exploits similar chemical features to bind in the PTR1 active site. Despite being a much smaller molecule, TAQ displays a similar inhibition constant to that of MTX. PTR1 is a target for the development of improved therapies for infections caused by trypanosomatid parasites and this analysis provides information to assist the structure-based development of novel enzyme inhibitors. PubMed: 15388924DOI: 10.1107/S0907444904018955 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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