4KSH
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | DNA gyrase subunit B | polymer | 215 | 23835.6 | 1 | UniProt (Q839Z1) Pfam (PF02518) | Enterococcus faecalis | |
| 2 | B (A) | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol | non-polymer | 444.0 | 1 | Chemie (HTT) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 222 | Chemie (HOH) |
Sequence modifications
A: 18 - 224 (UniProt: Q839Z1)
| PDB | External Database | Details |
|---|---|---|
| Leu 225 | - | expression tag |
| Glu 226 | - | expression tag |
| His 227 | - | expression tag |
| His 228 | - | expression tag |
| His 229 | - | expression tag |
| His 230 | - | expression tag |
| His 231 | - | expression tag |
| His 232 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23835.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 536.0 | |
| All* | Total formula weight | 24371.7 |
