5JCJ
Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Pteridine reductase | polymer | 288 | 30669.8 | 3 | UniProt (O76290) Pfam (PF13561) | Trypanosoma brucei brucei | |
| 2 | D (D) | Pteridine reductase | polymer | 288 | 30685.8 | 1 | UniProt (O76290) Pfam (PF13561) | Trypanosoma brucei brucei | |
| 3 | E, H, J, L (A, B, C, D) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 4 | Chemie (NAP) | |||
| 4 | F, K (A, C) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | G, I, M (A, B, D) | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one | non-polymer | 286.2 | 3 | Chemie (6JM) | |||
| 6 | N, O, P, Q (A, B, C, D) | water | water | 18.0 | 657 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 268 (UniProt: O76290)
D: 1 - 268 (UniProt: O76290)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| 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 | - | initiating methionine |
| 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 | 9 |
| Total formula weight | 3950.4 | |
| All* | Total formula weight | 126645.6 |
