3ZFZ
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
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) | PENICILLIN BINDING PROTEIN 2 PRIME | polymer | 642 | 73286.7 | 2 | UniProt (Q54113) UniProt (by SIFTS) (A0A0H3JPA5) | STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU50 | PENICILLIN-BINDING PROTEIN 2A |
| 2 | C, D, E, F, G... (A, B) | CADMIUM ION | non-polymer | 112.4 | 8 | Chemie (CD) PubChem (31193) | |||
| 3 | H, I, P, Q (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 4 | J (A) | Ceftaroline, bound form | non-polymer | 607.7 | 1 | Chemie (AI8) PubChem (137348924) | |||
| 5 | K (A) | Ceftaroline | non-polymer | 605.7 | 1 | Chemie (1W8) PubChem (20798895) PubChem (24794549) PubChem (58041734) PubChem (59451342) PubChem (60009827) PubChem (74316802) PubChem (123585190) PubChem (124636150) PubChem (9938702) PubChem (10031560) PubChem (145589317) | |||
| 6 | L, R (A, B) | beta-muramic acid | non-polymer | 251.2 | 2 | Chemie (MUR) PubChem (16219635) PubChem (22833605) PubChem (40488267) PubChem (45039974) PubChem (46782404) PubChem (92146549) PubChem (9816401) PubChem (124922341) PubChem (92274510) PubChem (92274511) PubChem (92274512) PubChem (92274513) PubChem (433580) PubChem (441038) PubChem (446972) PubChem (124922340) PubChem (124922342) PubChem (6452113) PubChem (7058068) PubChem (126968561) PubChem (129696424) PubChem (12313001) PubChem (140369008) PubChem (141806625) PubChem (141808570) PubChem (156619036) PubChem (176059267) | |||
| 7 | S, T (A, B) | water | water | 18.0 | 666 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 146573.3 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 2757.0 | |
| All* | Total formula weight | 149330.3 |
