4XXR
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in 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) | CTX-M-14 Class A Beta-Lactamase | polymer | 263 | 27942.5 | 2 | UniProt (Q9L5C7) Pfam (PF00144) Pfam (PF13354) | Escherichia coli | |
| 2 | C, H (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 3 | D, I (A, B) | [(1,2,3,4,5-eta)-1-(4-{[(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 | 494.5 | 2 | Chemie (JSD) | |||
| 4 | E, G, J (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 | 3 | Chemie (JSC) | |||
| 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 (JSE) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 601 | Chemie (HOH) |
Sequence modifications
A, B: 25 - 290 (UniProt: Q9L5C7)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Glu 169 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55885.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 3221.3 | |
| All* | Total formula weight | 59106.3 |
