7E9A
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
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 (A, B, C, D) | Beta-lactamase | polymer | 265 | 28079.6 | 4 | UniProt (Q93LQ9) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (Q9F663) | Klebsiella pneumoniae | Serine-Beta-Lactamase KPC-2 |
| 2 | E, K, Q, X (A, B, C, D) | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | non-polymer | 204.0 | 4 | Chemie (J00) | |||
| 3 | F, R, Y (A, C, D) | ACETIC ACID | non-polymer | 60.1 | 3 | Chemie (ACY) | |||
| 4 | AA, G, L, M, N... (D, A, B, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 10 | Chemie (PEG) | |||
| 5 | H, I, J, P, W... (A, B, C, D) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 6 | BA, CA, DA, EA (A, B, C, D) | water | water | 18.0 | 368 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 26 - 291 (UniProt: Q93LQ9)
| PDB | External Database | Details |
|---|---|---|
| Ser 25 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 112318.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2609.9 | |
| All* | Total formula weight | 114928.2 |
