3BAA
Structural Basis for the Inhibition of Bacterial NAD+ Dependent 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 | 332 | 38032.7 | 1 | UniProt (Q837V6) Pfam (PF01653) | Enterococcus faecalis (Streptococcus faecalis) | |
| 2 | B, C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | F (A) | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | non-polymer | 335.2 | 1 | Chemie (NMN) | |||
| 4 | G (A) | 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide | non-polymer | 354.4 | 1 | Chemie (3BA) | |||
| 5 | H, I (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | J (A) | water | water | 18.0 | 269 | Chemie (HOH) |
Sequence modifications
A: 1 - 324 (UniProt: Q837V6)
| PDB | External Database | Details |
|---|---|---|
| Leu 325 | - | expression tag |
| Glu 326 | - | expression tag |
| His 327 | - | expression tag |
| His 328 | - | expression tag |
| His 329 | - | expression tag |
| His 330 | - | expression tag |
| His 331 | - | expression tag |
| His 332 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 38032.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1258.1 | |
| All* | Total formula weight | 39290.8 |
