6MD8

Crystal structure of CTX-M-14 with compound 3

Summary for 6MD8

DescriptorBeta-lactamase CTX-M-14, 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordstetrazole, inhibitor, complex, extended spectrum beta-lactamase, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight57011.64
Authors
Akhtar, A.,Chen, Y. (deposition date: 2018-09-04, 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 (1.4 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.1692 0.4% 1.0% 1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6md8
no rotation
Molmil generated image of 6md8
rotated about x axis by 90°
Molmil generated image of 6md8
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 6md8
no rotation
Molmil generated image of 6md8
rotated about x axis by 90°
Molmil generated image of 6md8
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6md8.pdb2.gz [49.96 KB])
Coordinate files for Biological unit (6md8.pdb1.gz [50.19 KB])