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) PubChem (939) PubChem (177675032) PubChem (44269211) PubChem (46874984) PubChem (71750998) PubChem (89516131) PubChem (14181) PubChem (90476335) PubChem (6093202) PubChem (93605785) PubChem (9819044) PubChem (122587981) PubChem (123929622) PubChem (124350426) PubChem (15737496) PubChem (134694109) PubChem (147327152) PubChem (149999359) PubChem (164745794) PubChem (167012155) PubChem (172887170) | |||
| 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) PubChem (753) | |||
| 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 |
