4MWB
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Methionyl-tRNA synthetase | polymer | 542 | 61538.7 | 2 | UniProt (Q38C91) Pfam (PF09334) Pfam (PF19303) In PDB | Trypanosoma brucei | |
2 | A, B | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
3 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
4 | A | METHIONINE | non-polymer | 149.2 | 1 | Chemie (MET) | |||
5 | B | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
6 | B | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea | non-polymer | 364.3 | 1 | Chemie (2EK) | |||
7 | water | water | 18.0 | 428 | 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 | 16 |
Total formula weight | 1751.0 | |
All* | Total formula weight | 124828.3 |