Crystal structure of KPC-2 with compound 3

Summary for 6M7I

DescriptorCarbapenem-hydrolyzing beta-lactamase KPC, 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, GLYCEROL, ... (4 entities in total)
Functional Keywordscarbapenemase, tetrazole, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceKlebsiella pneumoniae
Total number of polymer chains1
Total molecular weight32083.19
Akhtar, A.,Chen, Y. (deposition date: 2018-08-20, release date: 2019-04-17)
Primary citation
Torelli, N.J.,Akhtar, A.,DeFrees, K.,Jaishankar, P.,Pemberton, O.A.,Zhang, X.,Johnson, C.,Renslo, A.R.,Chen, Y.
Active-site druggability of carbapenemases and broad-spectrum inhibitor discovery.
ACS Infect Dis, 2019
PubMed: 30942078 (PDB entries with the same primary citation)
DOI: 10.1021/acsinfecdis.9b00052
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21040 1.5% 5.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6m7i
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Molmil generated image of 6m7i
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Molmil generated image of 6m7i
rotated about y axis by 90°