Brand  (β version)

PDB ID: 6CXS

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Ligands
Code Name Style Show Link
FJV 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 PoSSuM
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Structure summary

Code : 6CXS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : 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
Release Data : 2019-04-17
Compound :
mol_id molecule chains
1 Beta-glucuronidase A,B
mol_id molecule chains synonym
2 Maltose/maltodextrin-binding periplasmic protein C,D MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP
fragment: residues 27-392
Source :
mol_id organism_scientific expression_system
1 Clostridium perfringens (strain 13 / Type A)  (taxid:195102) Escherichia coli  (taxid:562)
strain: 13 / Type A
gene: bglR
mol_id organism_scientific expression_system
2 Escherichia coli  (taxid:83333) Escherichia coli  (taxid:562)
strain: K12
gene: malE, b4034, JW3994
Authors : Wallace, B.D., Redinbo, M.R.
Keywords : HYDROLASE-HYDROLASE-INHIBITOR complex, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.8000 Å )
Citation :

Targeted inhibition of gut bacterial beta-glucuronidase activity enhances anticancer drug efficacy.

Bhatt, A.P.,Pellock, S.J.,Biernat, K.A.  et al.
(2020)  Proc.Natl.Acad.Sci.USA 

PubMed: 32170007
DOI: 10.1073/pnas.1918095117

Reaction

Chain : A, B
UniProt : Q8XP19 (BGLR_CLOPE)
Reaction: EC: Evidence:
Physiological Direction:
a beta-D-glucuronoside + H2O = D-glucuronate + an alcohol 3.2.1.31 PubMed:26364932, PubMed:32170007
left-to-right
Chain : C, D
UniProt : P0AEX9 (MALE_ECOLI)
Reaction : -