5NFH
Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor
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, putative | polymer | 536 | 60669.0 | 2 | UniProt (Q38C91) Pfam (PF09334) Pfam (PF19303) | Trypanosoma brucei brucei | |
| 2 | C, D, E, F, J (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 3 | G, H, K (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 4 | I (A) | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
| 5 | L (B) | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one | non-polymer | 416.3 | 1 | Chemie (8W2) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 263 | Chemie (HOH) |
Sequence modifications
A, B: 237 - 767 (UniProt: Q38C91)
| PDB | External Database | Details |
|---|---|---|
| Gly 232 | - | expression tag |
| Pro 233 | - | expression tag |
| Gly 234 | - | expression tag |
| Ser 235 | - | expression tag |
| Met 236 | - | 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 | 121338.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1260.4 | |
| All* | Total formula weight | 122598.4 |
