|
|
| Line 3: |
Line 3: |
| | <StructureSection load='5o79' size='340' side='right'caption='[[5o79]], [[Resolution|resolution]] 1.65Å' scene=''> | | <StructureSection load='5o79' size='340' side='right'caption='[[5o79]], [[Resolution|resolution]] 1.65Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[5o79]] is a 3 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=5O79 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O79 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5o79]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O79 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5O79 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=MG:MAGNESIUM+ION'>MG</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.65Å</td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ompK36 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=573 "Bacillus pneumoniae" (Schroeter 1886) Flugge 1886])</td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C8E:(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE'>C8E</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=5o79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o79 OCA], [http://pdbe.org/5o79 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o79 RCSB], [http://www.ebi.ac.uk/pdbsum/5o79 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o79 ProSAT]</span></td></tr> | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5o79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o79 OCA], [https://pdbe.org/5o79 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5o79 RCSB], [https://www.ebi.ac.uk/pdbsum/5o79 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5o79 ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/D6QLY0_KLEPN D6QLY0_KLEPN] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
| Line 21: |
Line 23: |
| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| | + | [[Category: Klebsiella pneumoniae]] |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Pathania, M]] | + | [[Category: Pathania M]] |
| - | [[Category: Berg, B van den]] | + | [[Category: Van den berg B]] |
| - | [[Category: Ion transport]]
| + | |
| - | [[Category: Membrane protein]]
| + | |
| - | [[Category: Ompc ortholog]]
| + | |
| - | [[Category: Outer membrane protein]]
| + | |
| - | [[Category: Porin]]
| + | |
| Structural highlights
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ 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. Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. ACS Infect Dis. 2018 Oct 12;4(10):1487-1498. doi: 10.1021/acsinfecdis.8b00108., Epub 2018 Aug 17. PMID:29962203 doi:http://dx.doi.org/10.1021/acsinfecdis.8b00108
|
