5o79

Klebsiella pneumoniae OmpK36

spinqualitylabelsall models 5o79, resolution 1.65Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5o79 is a 3 chain structure with sequence from Klebsiella pneumoniae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.65Å Ligands: C8E, MG Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function D6QLY0_KLEPN Publication Abstract from PubMed Small, hydrophilic molecules, including most important antibiotics in clinical use, cross the Gram-negative outer membrane through the water-filled channels provided by porins. We have determined the X-ray crystal structures of the principal general porins from three species of Enterobacteriaceae, namely Enterobacter aerogenes, Enterobacter cloacae, and Klebsiella pneumoniae, and determined their antibiotic permeabilities as well as those of the orthologues from Escherichia coli. Starting from the structure of the porins and molecules, we propose a physical mechanism underlying transport and condense it in a computationally efficient scoring function. The scoring function shows good agreement with in vitro penetration data and will enable the screening of virtual databases to identify molecules with optimal permeability through porins and help to guide the optimization of antibiotics with poor permeation. Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.,Acosta-Gutierrez S, Ferrara L, Pathania M, Masi M, Wang J, Bodrenko I, Zahn M, Winterhalter M, Stavenger RA, Pages JM, Naismith JH, van den Berg B, Page MGP, Ceccarelli M ACS Infect Dis. 2018 Oct 12;4(10):1487-1498. doi: 10.1021/acsinfecdis.8b00108., Epub 2018 Aug 17. PMID:29962203 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

Proteopedia Page Contributors and Editors (what is this?)

OCA