4CLO
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, D) | PTERIDINE REDUCTASE 1 | polymer | 288 | 30669.8 | 2 | UniProt (O76290) Pfam (PF13561) | TRYPANOSOMA BRUCEI BRUCEI | |
| 2 | B, C (B, C) | PTERIDINE REDUCTASE 1 | polymer | 288 | 30685.8 | 2 | UniProt (O76290) Pfam (PF13561) | TRYPANOSOMA BRUCEI BRUCEI | |
| 3 | E, G, I, K (A, B, C, D) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
| 4 | F, H, J, L (A, B, C, D) | 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine | non-polymer | 303.4 | 4 | Chemie (XP0) | |||
| 5 | M (D) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | N, O, P, Q (A, B, C, D) | water | water | 18.0 | 779 | Chemie (HOH) |
Sequence modifications
A, D: 1 - 268 (UniProt: O76290)
B, C: 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 | 122711.2 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 4279.2 | |
| All* | Total formula weight | 126990.3 |
