5NPP

2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA

Summary for 5NPP

DescriptorDNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), MANGANESE (II) ION, ... (10 entities in total)
Functional Keywordstype iia topoisomerase, antibacterial, inhibitor, isomerase
Biological sourceStaphylococcus aureus
More
Cellular locationCytoplasm  Q99XG5
Total number of polymer chains6
Total molecular weight170663.15
Authors
Bax, B.D.,Chan, P.F.,Stavenger, R.A. (deposition date: 2017-04-18, release date: 2017-07-12)
Primary citation
Chan, P.F.,Germe, T.,Bax, B.D.,Huang, J.,Thalji, R.K.,Bacque, E.,Checchia, A.,Chen, D.,Cui, H.,Ding, X.,Ingraham, K.,McCloskey, L.,Raha, K.,Srikannathasan, V.,Maxwell, A.,Stavenger, R.A.
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114:E4492-E4500, 2017
PubMed: 28507124 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1700721114
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.22 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22790.2%3.5%3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5npp
no rotation
Molmil generated image of 5npp
rotated about x axis by 90°
Molmil generated image of 5npp
rotated about y axis by 90°
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2018 Protein Data Bank Japan