6JOF

Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor

Summary for 6JOF

Entry DOI	10.2210/pdb6jof/pdb
Descriptor	tRNA (guanine-N(1)-)-methyltransferase, ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide (3 entities in total)
Functional Keywords	trna methyltransferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Mycobacterium tuberculosis H37Rv
Total number of polymer chains	1
Total formula weight	26567.98
Authors	Zhong, W.,Pasunooti, K.K.,Balamkundu, S.,Wong, Y.W.,Nah, Q.,Liu, C.F.,Lescar, J.,Dedon, P.C. (deposition date: 2019-03-20, release date: 2019-09-04, Last modification date: 2023-11-22)
Primary citation	Zhong, W.,Pasunooti, K.K.,Balamkundu, S.,Wong, Y.H.,Nah, Q.,Gadi, V.,Gnanakalai, S.,Chionh, Y.H.,McBee, M.E.,Gopal, P.,Lim, S.H.,Olivier, N.,Buurman, E.T.,Dick, T.,Liu, C.F.,Lescar, J.,Dedon, P.C. Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62:7788-7805, 2019 Cited by PubMed: 31442049 DOI: 10.1021/acs.jmedchem.9b00582 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation