4MW7
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
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 | 11 | Chemie (GOL) | |||
| 3 | K, L, M, N, S (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 4 | O (A) | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
| 5 | T (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | U (B) | 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea | non-polymer | 493.8 | 1 | Chemie (2EF) | |||
| 7 | V, W (A, B) | water | water | 18.0 | 177 | 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 | 19 |
| Total formula weight | 2142.8 | |
| All* | Total formula weight | 125012.2 |
