4MWD
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP
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 | 61538.7 | 2 | UniProt (Q38C91) Pfam (PF09334) Pfam (PF19303) | Trypanosoma brucei | |
| 2 | C, D, E, F, K... (A, B) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 3 | G, H, P (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 4 | I, Q (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | J (A) | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
| 6 | R (B) | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea | non-polymer | 358.3 | 1 | Chemie (43E) | |||
| 7 | S (B) | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | non-polymer | 505.2 | 1 | Chemie (ACP) | |||
| 8 | T, U (A, B) | water | water | 18.0 | 517 | 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 | 123077.4 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2268.1 | |
| All* | Total formula weight | 125345.4 |
