6KKV

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

6KKV の概要

• エントリーDOI: 10.2210/pdb6kkv/pdb
• 分子名称: DNA ligase A, N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: ligase
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37310.55

構造登録者

Ramachandran, R.,Shukla, A.,Afsar, M. (登録日: 2019-07-27, 公開日: 2020-07-29, 最終更新日: 2023-11-22)

• 主引用文献: 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; PubMed: 33197566; DOI: 10.1016/j.jsb.2020.107655

実験手法

X-RAY DIFFRACTION (2.56 Å)