5A93
293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | BETA-LACTAMASE CTX-M-97 | polymer | 262 | 28117.8 | 1 | UniProt (E1ANH6) Pfam (PF00144) Pfam (PF00905) Pfam (PF13354) | ESCHERICHIA COLI | TOHO1 BETA LACTAMASE |
| 2 | B (A) | CEFOTAXIME, C3' cleaved, open, bound form | non-polymer | 397.4 | 1 | Chemie (CEF) | |||
| 3 | C, D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | H (A) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
A: 26 - 290 (UniProt: E1ANH6)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Glu 169 | engineered mutation |
| Asn 274 | Ser 275 | conflict |
| Asn 276 | Arg 277 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28117.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 877.7 | |
| All* | Total formula weight | 28995.5 |
