4GEE
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
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) | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine | non-polymer | 371.8 | 1 | Chemie (0WT) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 227 | 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 | 463.9 | |
| All* | Total formula weight | 24299.5 |
