7N12

Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct

Summary for 7N12

• Entry DOI: 10.2210/pdb7n12/pdb
• Descriptor: Leucine--tRNA ligase, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate, SULFATE ION, ... (4 entities in total)
• Functional Keywords: oxaborole, inhibitor, complex, antibiotic, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• Biological source: Mycobacteroides abscessus
• Total number of polymer chains: 2
• Total formula weight: 43275.13

Authors

Kalthoff, E.,Schmeing, M. (deposition date: 2021-05-26, release date: 2021-10-06, Last modification date: 2023-10-18)

• Primary citation: Sullivan, J.R.,Lupien, A.,Kalthoff, E.,Hamela, C.,Taylor, L.,Munro, K.A.,Schmeing, T.M.,Kremer, L.,Behr, M.A.; Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.; Plos Pathog., 17:e1009965-e1009965, 2021; PubMed: 34637487; DOI: 10.1371/journal.ppat.1009965

Experimental method

X-RAY DIFFRACTION (1.7 Å)