4EMW
Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA
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) | Coenzyme A disulfide reductase | polymer | 436 | 49089.3 | 2 | UniProt (Q2FIA5) Pfam (PF07992) Pfam (PF02852) | Staphylococcus aureus subsp. aureus | CoA-disulfide reductase, CoADR |
| 2 | C, F (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, I (A, B) | ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate | non-polymer | 835.6 | 2 | Chemie (CAJ) | |||
| 5 | H (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 218 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 98178.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 3326.3 | |
| All* | Total formula weight | 101505.0 |
