Crystal structure of KPC-2 complexed with compound 9

Summary for 6D19

DescriptorCarbapenem-hydrolyzing beta-lactamase KPC, [(5-bromo-7-methyl-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 weight31897.94
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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19230 3.0% 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6d19
no rotation
Molmil generated image of 6d19
rotated about x axis by 90°
Molmil generated image of 6d19
rotated about y axis by 90°