4JHZ

Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide

Summary for 4JHZ

Entry DOI	10.2210/pdb4jhz/pdb
Related	3K46 3K4A 3K4D 3LPF 3LPG
Descriptor	Beta-glucuronidase, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide (3 entities in total)
Functional Keywords	alpha/beta barrel, sugar-binding domain, beta-sandwich domain, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Escherichia coli
Total number of polymer chains	2
Total formula weight	139037.62
Authors	Roberts, A.B.,Wallace, B.D.,Redinbo, M.R. (deposition date: 2013-03-05, release date: 2013-08-28, Last modification date: 2023-12-06)
Primary citation	Roberts, A.B.,Wallace, B.D.,Venkatesh, M.K.,Mani, S.,Redinbo, M.R. Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity. Mol.Pharmacol., 84:208-217, 2013 Cited by PubMed: 23690068 DOI: 10.1124/mol.113.085852 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.831 Å)

Structure validation