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

Related4JKM
DescriptorBeta-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 Keywordshydrolase-hydrolase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceClostridium perfringens (strain 13 / Type A)
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Total number of polymer chains4
Total molecular weight226983.78
Authors
Wallace, B.D.,Redinbo, M.R. (deposition date: 2018-04-04, release date: 2019-04-17)
Primary citation
Bhatt, A.P.,Pellock, S.J.,Walton, W.G.,Creekmore, B.C.,Biernat, K.A.,Wallace, B.D.,Roquez, J.R.,Darr, D.B.,Bailey, S.T.,Montgomery, S.A.,Roach, J.M.,Azcarate-Peril, M.A.,Bultman, S.J.,Gharaibeh, R.Z.,Redinbo, M.R.
Precision Gut Bacterial Enzyme Inhibition Enhances Irinotecan Efficacy
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2339 0.8% 3.4% 3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6cxs
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Molmil generated image of 6cxs
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Molmil generated image of 6cxs
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More Biological unit images

Molmil generated image of 6cxs
no rotation
Molmil generated image of 6cxs
rotated about x axis by 90°
Molmil generated image of 6cxs
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6cxs.pdb2.gz [404.66 KB])
Coordinate files for Biological unit (6cxs.pdb1.gz [296.4 KB])