6CXS

Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine

Summary for 6CXS

• Entry DOI: 10.2210/pdb6cxs/pdb
• Related: 4JKM
• Descriptor: Beta-glucuronidase, Maltose/maltodextrin-binding periplasmic protein, 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, ... (4 entities in total)
• Functional Keywords: hydrolase-hydrolase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Clostridium perfringens (strain 13 / Type A); More
• Total number of polymer chains: 4
• Total formula weight: 226983.78

Authors

Wallace, B.D.,Redinbo, M.R. (deposition date: 2018-04-04, release date: 2019-04-17, Last modification date: 2023-10-04)

• Primary citation: Bhatt, A.P.,Pellock, S.J.,Biernat, K.A.,Walton, W.G.,Wallace, B.D.,Creekmore, B.C.,Letertre, M.M.,Swann, J.R.,Wilson, I.D.,Roques, J.R.,Darr, D.B.,Bailey, S.T.,Montgomery, S.A.,Roach, J.M.,Azcarate-Peril, M.A.,Sartor, R.B.,Gharaibeh, R.Z.,Bultman, S.J.,Redinbo, M.R.; Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.; Proc.Natl.Acad.Sci.USA, 2020; PubMed: 32170007; DOI: 10.1073/pnas.1918095117

Experimental method

X-RAY DIFFRACTION (2.8 Å)