4ZT7
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Methionyl-tRNA synthetase | polymer | 542 | 61434.7 | 2 | UniProt (Q38C91) Pfam (PF09334) Pfam (PF19303) | Trypanosoma brucei brucei | |
| 2 | C (A) | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
| 3 | D, E, F, I (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 4 | G (B) | N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine | non-polymer | 409.3 | 1 | Chemie (4RC) | |||
| 5 | H (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 507 | Chemie (HOH) |
Sequence modifications
A, B: 237 - 773 (UniProt: Q38C91)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Met 0 | - | expression tag |
| Thr 309 | Ala 309 | conflict |
| Ala 452 | Lys 452 | engineered mutation |
| Arg 453 | Lys 453 | engineered mutation |
| Ala 454 | Glu 454 | engineered mutation |
| Val 499 | Ala 499 | conflict |
| Asn 503 | Ser 503 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 122869.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 963.1 | |
| All* | Total formula weight | 123832.5 |
