6M2U
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-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 (A, B) | Benzoate-coenzyme A ligase | polymer | 518 | 56167.5 | 2 | UniProt (Q93TK0) Pfam (PF00501) Pfam (PF13193) | Rhodopseudomonas palustris | |
| 2 | C, E (A, B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) | |||
| 3 | D, F (A, B) | 2-chloranyl-1,3-thiazole-5-carboxylic acid | non-polymer | 163.6 | 2 | Chemie (F0O) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 1307 | Chemie (HOH) |
Sequence modifications
A, B: 6 - 523 (UniProt: Q93TK0)
| PDB | External Database | Details |
|---|---|---|
| Ala 83 | Thr 82 | engineered mutation |
| Ala 333 | His 332 | engineered mutation |
| Ala 334 | Ile 333 | engineered mutation |
| Asp 341 | Gly 340 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 112335.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1021.6 | |
| All* | Total formula weight | 113356.6 |
