Crystal structure of NDM-1 complexed with compound 12

Summary for 6D1I

DescriptorMetallo-beta-lactamase type 2, ZINC ION, [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid, ... (5 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 weight25104.78
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 0.16240 1.2% 4.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6d1i
no rotation
Molmil generated image of 6d1i
rotated about x axis by 90°
Molmil generated image of 6d1i
rotated about y axis by 90°