4EM4
Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-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 | 437 | 49218.5 | 2 | UniProt (Q2FIA5) Pfam (PF07992) Pfam (PF02852) | Staphylococcus aureus subsp. aureus | CoA-disulfide reductase, CoADR |
| 2 | C, K (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 3 | D, E, L (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 4 | F, G, H, I, M... (A, B) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 5 | J, P (A, B) | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate | non-polymer | 903.7 | 2 | Chemie (CA8) | |||
| 6 | Q, R (A, B) | water | water | 18.0 | 1080 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 98437.0 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 3699.6 | |
| All* | Total formula weight | 102136.6 |
