6VNU
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
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) | Beta-lactamase | polymer | 263 | 27942.5 | 2 | UniProt (A0A1B3B7F6) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (Q9L5C7) | Escherichia coli | CTX-M-14 Class A Beta-Lactamase |
| 2 | C, D, G (A, B) | ruthenocene | non-polymer | 231.3 | 3 | Chemie (7G4) | |||
| 3 | E, H (A, B) | [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | non-polymer | 534.5 | 2 | Chemie (TDJ) | |||
| 4 | F, I (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 5 | J, K (A, B) | water | water | 18.0 | 525 | Chemie (HOH) |
Sequence modifications
A, B: 25 - 290 (UniProt: A0A1B3B7F6)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Glu 166 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55885.0 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1840.9 | |
| All* | Total formula weight | 57726.0 |
