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4gcq

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==Crystal Structure of E. coli OmpF porin in complex with Carbenicillin==
==Crystal Structure of E. coli OmpF porin in complex with Carbenicillin==
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<StructureSection load='4gcq' size='340' side='right' caption='[[4gcq]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='4gcq' size='340' side='right'caption='[[4gcq]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4gcq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_k-12 Escherichia coli k-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GCQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GCQ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4gcq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GCQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GCQ FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0JM:(2S,5R,6R,7R)-6-{[(2R)-2-CARBOXY-2-PHENYLACETYL]AMINO}-7-HYDROXY-3,3-DIMETHYL-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC+ACID'>0JM</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4gcp|4gcp]], [[4gcs|4gcs]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0JM:(2S,5R,6R,7R)-6-{[(2R)-2-CARBOXY-2-PHENYLACETYL]AMINO}-7-HYDROXY-3,3-DIMETHYL-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC+ACID'>0JM</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ompF, cmlB, coa, cry, tolF, b0929, JW0912 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 Escherichia coli K-12])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4gcq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gcq OCA], [https://pdbe.org/4gcq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gcq RCSB], [https://www.ebi.ac.uk/pdbsum/4gcq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gcq ProSAT]</span></td></tr>
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<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=4gcq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gcq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gcq RCSB], [http://www.ebi.ac.uk/pdbsum/4gcq PDBsum]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/OMPF_ECOLI OMPF_ECOLI]] Forms pores that allow passive diffusion of small molecules across the outer membrane. It is also a receptor for the bacteriophage T2.<ref>PMID:19721064</ref>
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[https://www.uniprot.org/uniprot/OMPF_ECOLI OMPF_ECOLI] Forms pores that allow passive diffusion of small molecules across the outer membrane. It is also a receptor for the bacteriophage T2.<ref>PMID:19721064</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The structure of OmpF porin in complex with three common antibiotics (zwitterionic ampicillin, anionic ertapenem, and di-anionic carbenicillin) was determined using X-ray crystallography. The three antibiotics are found to bind within the extracellular and periplasmic pore vestibules, away from the narrow OmpF constriction zone. Using the X-ray structures as a starting point, nonequilibrium molecular dynamics simulations with an applied membrane voltage show that ionic current through the OmpF channel is blocked with bound ampicillin, but not with bound carbenicillin. The susceptibility of Escherichia coli expressing OmpF mutants to ampicillin and carbenicillin was also experimentally characterized using microbiologic assays. These results show that general diffusion by OmpF porins allows for transfer of molecules with varied charged states and give insights into the design of more efficient antibiotics. A better understanding of this mechanism will shed light on nature's way of devising channels able to enhance the transport of molecules through membranes.
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The Binding of Antibiotics in OmpF Porin.,Ziervogel BK, Roux B Structure. 2012 Nov 27. pii: S0969-2126(12)00410-8. doi:, 10.1016/j.str.2012.10.014. PMID:23201272<ref>PMID:23201272</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
==See Also==
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*[[Porin|Porin]]
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*[[Porin 3D structures|Porin 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Escherichia coli k-12]]
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[[Category: Escherichia coli K-12]]
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[[Category: Roux, B]]
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[[Category: Large Structures]]
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[[Category: Ziervogel, B K]]
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[[Category: Roux B]]
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[[Category: Beta-barrel]]
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[[Category: Ziervogel BK]]
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[[Category: Carbenicillin binding]]
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[[Category: Membrane protein-antibiotic complex]]
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[[Category: Non-specific channel]]
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[[Category: Outer membrane]]
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[[Category: Protein-drug complex]]
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[[Category: Trimer]]
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Current revision

Crystal Structure of E. coli OmpF porin in complex with Carbenicillin

PDB ID 4gcq

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