3BMN
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Pteridine reductase | polymer | 288 | 30685.8 | 1 | UniProt (O76290) Pfam (PF13561) | Trypanosoma brucei brucei | |
| 2 | B, C, D (B, C, D) | Pteridine reductase | polymer | 288 | 30669.8 | 3 | UniProt (O76290) Pfam (PF13561) | Trypanosoma brucei brucei | |
| 3 | E, J, M, R (A, B, C, D) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
| 4 | F, K, N, S (A, B, C, D) | N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine | non-polymer | 166.2 | 4 | Chemie (AX3) | |||
| 5 | G, H, I, L, P... (A, B, C, D) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 6 | O, T, U (C, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 7 | Q (D) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 8 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 540 | Chemie (HOH) |
Sequence modifications
A: 1 - 268 (UniProt: O76290)
B, C, D: 1 - 268 (UniProt: O76290)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 122695.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 4436.2 | |
| All* | Total formula weight | 127131.3 |
