8F4A

Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine

Summary for 8F4A

Entry DOI	10.2210/pdb8f4a/pdb
Descriptor	N-acetyltransferase Eis, GLYCEROL, 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, ... (4 entities in total)
Functional Keywords	drug resistance, inhibitor, acetylation, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Mycobacterium tuberculosis H37Rv
Total number of polymer chains	1
Total formula weight	46596.65
Authors	Pang, A.H.,Punetha, A.,Garneau-Tsodikova, S.,Tsodikov, O.V. (deposition date: 2022-11-10, release date: 2023-02-08, Last modification date: 2023-10-25)
Primary citation	Pang, A.H.,Green, K.D.,Punetha, A.,Thamban Chandrika, N.,Howard, K.C.,Garneau-Tsodikova, S.,Tsodikov, O.V. Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs. Biochemistry, 62:710-721, 2023 Cited by PubMed: 36657084 DOI: 10.1021/acs.biochem.2c00658 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.41 Å)

Structure validation