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 | DNA ligase A | polymer | 327 | 36904.2 | 1 | UniProt (P9WNV1) Pfam (PF22745) Pfam (PF01653) In PDB | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | LigA,Polydeoxyribonucleotide synthase [NAD(+)] |
2 | A | N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide | non-polymer | 214.3 | 1 | Chemie (DKR) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | 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 |