6D15

Crystal structure of KPC-2 complexed with compound 1

Summary for 6D15

DescriptorCarbapenem-hydrolyzing beta-lactamase KPC, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid, GLYCEROL, ... (4 entities in total)
Functional Keywordsbeta-lactamase, carbapenemase, phosphonate, inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceKlebsiella pneumoniae
Total number of polymer chains1
Total molecular weight31435.13
Authors
Pemberton, O.A.,Chen, Y. (deposition date: 2018-04-11, release date: 2019-04-17)
Primary citation
Pemberton, O.A.,Jaishankar, P.,Renslo, A.R.,Chen, Y.
A conserved substrate envelope in serine and metallo-carbapenemases enables cross-class inhibitor discovery
To Be Published,
Experimental method
X-RAY DIFFRACTION (1.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.16720 1.5% 3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6d15
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Molmil generated image of 6d15
rotated about x axis by 90°
Molmil generated image of 6d15
rotated about y axis by 90°