6KKV
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 | 36904.2 | 1 | UniProt (P9WNV1) Pfam (PF01653) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | LigA,Polydeoxyribonucleotide synthase [NAD(+)] |
| 2 | B (A) | N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide | non-polymer | 214.3 | 1 | Chemie (DKR) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | water | water | 18.0 | 32 | Chemie (HOH) |
Sequence modifications
A: 8 - 328 (UniProt: P9WNV1)
| PDB | External Database | Details |
|---|---|---|
| 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 | 36904.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 406.4 | |
| All* | Total formula weight | 37310.5 |
