4CC6
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
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 LIGASE | polymer | 318 | 36724.8 | 1 | UniProt (Q9AIU7) Pfam (PF01653) | STAPHYLOCOCCUS AUREUS | POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD(+)] |
| 2 | B (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (A) | 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol | non-polymer | 323.3 | 1 | Chemie (L5Y) | |||
| 4 | D (A) | water | water | 18.0 | 101 | Chemie (HOH) |
Sequence modifications
A: 1 - 312 (UniProt: Q9AIU7)
| PDB | External Database | Details |
|---|---|---|
| His 313 | - | expression tag |
| His 314 | - | expression tag |
| His 315 | - | expression tag |
| His 316 | - | expression tag |
| His 317 | - | expression tag |
| His 318 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36724.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 419.3 | |
| All* | Total formula weight | 37144.1 |
