6KSD
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 | 321 | 36017.2 | 1 | UniProt (P9WNV1) Pfam (PF01653) | Mycobacterium tuberculosis H37Rv | LigA,Polydeoxyribonucleotide synthase [NAD(+)] |
| 2 | B (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) | |||
| 3 | C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | F (A) | water | water | 18.0 | 72 | Chemie (HOH) |
Sequence modifications
A: 8 - 328 (UniProt: P9WNV1)
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Lys 123 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36017.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 623.4 | |
| All* | Total formula weight | 36640.6 |
