6KKV

Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis

Summary for 6KKV

Entry DOI	10.2210/pdb6kkv/pdb
Descriptor	DNA ligase A, N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	ligase
Biological source	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Total number of polymer chains	1
Total formula weight	37310.55
Authors	Ramachandran, R.,Shukla, A.,Afsar, M. (deposition date: 2019-07-27, release date: 2020-07-29, Last modification date: 2023-11-22)
Primary citation	Shukla, A.,Afsar, M.,Kumar, N.,Kumar, S.,Ramachandran, R. Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol., 213:107655-107655, 2021 Cited by PubMed: 33197566 DOI: 10.1016/j.jsb.2020.107655 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.56 Å)

Structure validation