5TOP
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 S70G 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 | 27953.5 | 2 | UniProt (H6UQI0) Pfam (PF00144) Pfam (PF13354) | Escherichia coli | CTX-M-14 Class A Beta-Lactamase |
| 2 | C, G (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 3 | D, H (A, B) | [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | non-polymer | 538.5 | 2 | Chemie (JSE) | |||
| 4 | E, J, K (A, B) | RUTHENIUM ION | non-polymer | 101.1 | 3 | Chemie (RU) | |||
| 5 | F (A) | [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | non-polymer | 538.5 | 1 | Chemie (JSC) | |||
| 6 | I (B) | ruthenocene | non-polymer | 231.3 | 1 | Chemie (7G4) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 578 | Chemie (HOH) |
Sequence modifications
A, B: 25 - 263 (UniProt: H6UQI0)
| PDB | External Database | Details |
|---|---|---|
| Gly 45 | Ser 66 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55907.0 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2228.2 | |
| All* | Total formula weight | 58135.2 |
