6M2T
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-methyl-thiazole-5 carboxylate-AMP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Benzoate-coenzyme A ligase | polymer | 524 | 56683.1 | 4 | UniProt (Q93TK0) | Rhodopseudomonas palustris | |
| 2 | E, G, I, K (A, B, C, D) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 4 | Chemie (AMP) | |||
| 3 | F, H, J, L (A, B, C, D) | 2-methyl-1,3-thiazole-5-carboxylic acid | non-polymer | 143.2 | 4 | Chemie (6V9) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 1377 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 523 (UniProt: Q93TK0)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Ala 83 | Thr 82 | engineered mutation |
| Ala 333 | His 332 | engineered mutation |
| Ala 334 | Ile 333 | engineered mutation |
| Asp 341 | Gly 340 | engineered mutation |
| Gly 524 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 226732.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1961.5 | |
| All* | Total formula weight | 228693.9 |
