6KDU
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
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 A | polymer | 327 | 36846.1 | 1 | UniProt (P9WNV1) Pfam (PF22745) Pfam (PF01653) | Mycobacterium tuberculosis H37Rv | LigA,Polydeoxyribonucleotide synthase [NAD(+)] |
| 2 | B (A) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 1 | Chemie (AMP) | |||
| 3 | C (A) | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | non-polymer | 335.2 | 1 | Chemie (NMN) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G (A) | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A: 8 - 328 (UniProt: P9WNV1)
| PDB | External Database | Details |
|---|---|---|
| Ala 22 | Glu 22 | engineered mutation |
| His 329 | - | expression tag |
| His 330 | - | expression tag |
| His 331 | - | expression tag |
| His 332 | - | expression tag |
| His 333 | - | expression tag |
| His 334 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36846.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 970.6 | |
| All* | Total formula weight | 37816.8 |
