4HYM
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, B (A, B) | Topoisomerase IV, subunit B | polymer | 390 | 43950.8 | 2 | UniProt (Q2A1P5) Pfam (PF02518) Pfam (PF00204) UniProt (by SIFTS) (A0A0J9WZF0) | Francisella tularensis subsp. holarctica LVS | |
| 2 | C (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 | D, E (A, B) | water | water | 18.0 | 634 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 382 (UniProt: Q2A1P5)
| PDB | External Database | Details |
|---|---|---|
| Pro 258 | Leu 258 | SEE REMARK 999 |
| Leu 383 | - | expression tag |
| Glu 384 | - | expression tag |
| His 385 | - | expression tag |
| His 386 | - | expression tag |
| His 387 | - | expression tag |
| His 388 | - | expression tag |
| His 389 | - | expression tag |
| His 390 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 87901.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 442.9 | |
| All* | Total formula weight | 88344.5 |
