3GN1
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116)
Summary for 3GN1
| Entry DOI | 10.2210/pdb3gn1/pdb |
| Related | 3BMC 3BMD 3BME 3BMF 3BMG 3BMH 3GN2 |
| Descriptor | Pteridine reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1H-benzimidazol-2-amine, ... (5 entities in total) |
| Functional Keywords | pteridine reductase, ptr1, trypanosoma brucei, short chain dehydrogenase, inhibitor, oxidoreductase |
| Biological source | Trypanosoma brucei brucei |
| Total number of polymer chains | 4 |
| Total formula weight | 126234.31 |
| Authors | Tulloch, L.B.,Brenk, R.,Hunter, W.N. (deposition date: 2009-03-16, release date: 2009-12-29, Last modification date: 2011-09-07) |
| Primary citation | Mpamhanga, C.P.,Spinks, D.,Tulloch, L.B.,Shanks, E.J.,Robinson, D.A.,Collie, I.T.,Fairlamb, A.H.,Wyatt, P.G.,Frearson, J.A.,Hunter, W.N.,Gilbert, I.H.,Brenk, R. One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52:4454-4465, 2009 Cited by PubMed: 19527033DOI: 10.1021/jm900414x PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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