9F0U
Structure of KPC-2 complexed with benzoxaborole AK-425
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Carbapenem-hydrolyzing beta-lactamase KPC | polymer | 290 | 30806.6 | 1 | UniProt (Q9F663) Pfam (PF00144) Pfam (PF13354) | Klebsiella pneumoniae | Carbapenem-hydrolyzing beta-lactamase KPC-1 |
| 2 | B (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | C, D, F, G (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | E (A) | (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile | non-polymer | 158.9 | 1 | Chemie (XR9) | |||
| 5 | H (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | I (A) | water | water | 18.0 | 411 | Chemie (HOH) |
Sequence modifications
A: 26 - 294 (UniProt: Q9F663)
| PDB | External Database | Details |
|---|---|---|
| Met 5 | - | initiating methionine |
| Gly 6 | - | expression tag |
| Ser 7 | - | expression tag |
| Ser 8 | - | expression tag |
| His 9 | - | expression tag |
| His 10 | - | expression tag |
| His 11 | - | expression tag |
| His 12 | - | expression tag |
| His 13 | - | expression tag |
| His 14 | - | expression tag |
| Ser 15 | - | expression tag |
| Ser 16 | - | expression tag |
| Gly 17 | - | expression tag |
| Leu 18 | - | expression tag |
| Val 19 | - | expression tag |
| Pro 20 | - | expression tag |
| Arg 21 | - | expression tag |
| Gly 22 | - | expression tag |
| Ser 23 | - | expression tag |
| His 24 | - | expression tag |
| Met 25 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30806.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 658.3 | |
| All* | Total formula weight | 31464.9 |
