8SQ7
X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Beta-lactamase OXA-82 | polymer | 250 | 28068.0 | 8 | UniProt (A8HDA9) Pfam (PF00905) | Acinetobacter baumannii | |
| 2 | I, K, O, Q, S... (A, B, C, D, E...) | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid | non-polymer | 422.5 | 8 | Chemie (4J6) | |||
| 3 | J, P, R, T (A, C, D, E) | CITRATE ANION | non-polymer | 189.1 | 4 | Chemie (FLC) | |||
| 4 | AA, L, M, N, V... (H, B, F, G) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 5 | BA, CA, DA, EA, FA... (A, B, C, D, E...) | water | water | 18.0 | 1501 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 26 - 274 (UniProt: A8HDA9)
| PDB | External Database | Details |
|---|---|---|
| Met 25 | - | initiating methionine |
| Asp 83 | Lys 83 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 224543.8 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 4781.2 | |
| All* | Total formula weight | 229325.0 |
