5VLE
Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products 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) | Beta-lactamase | polymer | 263 | 27925.5 | 2 | UniProt (H6UQI0) | Escherichia coli | |
| 2 | C, E, I (A, B) | {(1,2,3,4,5-eta)-3-[4-({[(2R,4S)-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 | 503.6 | 3 | Chemie (JSD) | |||
| 3 | D (A) | {(1,2,3,4,5-eta)-3-[4-({(R)-carboxy[(2R,4S)-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 | 547.6 | 1 | Chemie (JSC) | |||
| 4 | F, J (A, B) | {(1,2,3,4,5-eta)-3-[4-({(R)-carboxy[(2S,4S)-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 | 547.6 | 2 | Chemie (JSE) | |||
| 5 | G, K (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) PubChem (813) | |||
| 6 | H (A) | RUTHENIUM ION | non-polymer | 101.1 | 1 | Chemie (RU) PubChem (168052) | |||
| 7 | L (B) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 8 | M, N (A, B) | water | water | 18.0 | 667 | Chemie (HOH) |
Sequence modifications
A, B: 25 - 290 (UniProt: H6UQI0)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Glu 162 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55851.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 3427.7 | |
| All* | Total formula weight | 59278.7 |
