4MW2
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
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 | |
| 2 | C, D, E, F, G... (A, B) | GLYCEROL | non-polymer | 92.1 | 12 | Chemie (GOL) | |||
| 3 | L, M, N, O, X (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 4 | P, U, V, W (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | Q (A) | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
| 6 | Y (B) | 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea | non-polymer | 379.9 | 1 | Chemie (2E9) | |||
| 7 | AA, Z (B, A) | water | water | 18.0 | 269 | 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 | 23 |
| Total formula weight | 2409.2 | |
| All* | Total formula weight | 125278.6 |
