5o77
From Proteopedia
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==Klebsiella pneumoniae OmpK35== | ==Klebsiella pneumoniae OmpK35== | ||
| - | <StructureSection load='5o77' size='340' side='right' caption='[[5o77]], [[Resolution|resolution]] 1.50Å' scene=''> | + | <StructureSection load='5o77' size='340' side='right'caption='[[5o77]], [[Resolution|resolution]] 1.50Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5o77]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O77 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O77 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5o77]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_pneumoniae"_(schroeter_1886)_flugge_1886 "bacillus pneumoniae" (schroeter 1886) flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O77 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O77 FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5o77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o77 OCA], [http://pdbe.org/5o77 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o77 RCSB], [http://www.ebi.ac.uk/pdbsum/5o77 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o77 ProSAT]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5o77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o77 OCA], [http://pdbe.org/5o77 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o77 RCSB], [http://www.ebi.ac.uk/pdbsum/5o77 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o77 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == 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. | ||
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| + | 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<ref>PMID:29962203</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5o77" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
[[Category: Pathania, M]] | [[Category: Pathania, M]] | ||
[[Category: Zahn, M]] | [[Category: Zahn, M]] | ||
Revision as of 11:23, 13 November 2019
Klebsiella pneumoniae OmpK35
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