6MDU

Crystal structure of NDM-1 with compound 7

Summary for 6MDU

DescriptorMetallo-beta-lactamase type 2, ZINC ION, 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, ... (5 entities in total)
Functional Keywordscarbapenemase, tetrazole, inhibitor, complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceKlebsiella pneumoniae
Total number of polymer chains1
Total molecular weight25156.92
Authors
Akhtar, A.,Chen, Y. (deposition date: 2018-09-05, 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
X-RAY DIFFRACTION (1.15 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19620 1.2% 5.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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