4GGL
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) | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one | non-polymer | 442.9 | 1 | Chemie (CJC) | |||
| 3 | C (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | D (A) | water | water | 18.0 | 255 | 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 | 535.0 | |
| All* | Total formula weight | 24370.6 |
