4HXW
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) | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine | non-polymer | 426.9 | 1 | Chemie (1A0) | |||
| 3 | C (A) | TERTIARY-BUTYL ALCOHOL | non-polymer | 74.1 | 1 | Chemie (TBU) | |||
| 4 | D (A) | water | water | 18.0 | 258 | Chemie (HOH) |
Sequence modifications
A: 25 - 231 (UniProt: Q839Z1)
| PDB | External Database | Details |
|---|---|---|
| Leu 232 | - | expression tag |
| Glu 233 | - | expression tag |
| His 234 | - | expression tag |
| His 235 | - | expression tag |
| His 236 | - | expression tag |
| His 237 | - | expression tag |
| His 238 | - | expression tag |
| His 239 | - | 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 | 501.0 | |
| All* | Total formula weight | 24336.7 |
