7PQK

Co-Crystal Structure of M. tuberculosis LeuRS in Complex with the Adduct Formed by Prodrug Cmpd1 with Adenosine-monophosphate

Summary for 7PQK

Entry DOI	10.2210/pdb7pqk/pdb
Descriptor	Leucine--tRNA ligase, (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	leucyl-trna synthetase, catalyses the reaction: atp + l-leucine + trna(leu) = amp + diphosphate + l-leucyl-trna(leu) leucine-trna ligase atp binding domain, ligase
Biological source	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Total number of polymer chains	1
Total formula weight	25568.59
Authors	Palencia, A.,Cusack, S. (deposition date: 2021-09-17, release date: 2023-01-18, Last modification date: 2024-02-07)
Primary citation	Hoffmann, G.,Le Gorrec, M.,Mestdach, E.,Cusack, S.,Salmon, L.,Jensen, M.R.,Palencia, A. Adenosine-Dependent Activation Mechanism of Prodrugs Targeting an Aminoacyl-tRNA Synthetase. J.Am.Chem.Soc., 145:800-810, 2023 Cited by PubMed: 36599057 DOI: 10.1021/jacs.2c04808 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.15 Å)

Structure validation