7prg: Difference between revisions

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<StructureSection load='7prg' size='340' side='right'caption='[[7prg]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
<StructureSection load='7prg' size='340' side='right'caption='[[7prg]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[7prg]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PRG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PRG FirstGlance]. <br>
<table><tr><td colspan='2'>[[7prg]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7PRG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7PRG FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Hybrid , Neutron Diffraction , X-ray diffraction, [[Resolution|Resolution]] 1.85&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=7prg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7prg OCA], [https://pdbe.org/7prg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7prg RCSB], [https://www.ebi.ac.uk/pdbsum/7prg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7prg 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=7prg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7prg OCA], [https://pdbe.org/7prg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7prg RCSB], [https://www.ebi.ac.uk/pdbsum/7prg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7prg ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/A0A069Q9V4_PSEAI A0A069Q9V4_PSEAI]
The opportunistic pathogen Pseudomonas aeruginosa, a major cause of nosocomial infections, uses carbohydrate-binding proteins (lectins) as part of its binding to host cells. The fucose-binding lectin, LecB, displays a unique carbohydrate-binding site that incorporates two closely located calcium ions bridging between the ligand and protein, providing specificity and unusually high affinity. Here, we investigate the mechanisms involved in binding based on neutron crystallography studies of a fully deuterated LecB/fucose/calcium complex. The neutron structure, which includes the positions of all the hydrogen atoms, reveals that the high affinity of binding may be related to the occurrence of a low-barrier hydrogen bond induced by the proximity of the two calcium ions, the presence of coordination rings between the sugar, calcium and LecB, and the dynamic behaviour of bridging water molecules at room temperature. These key structural details may assist in the design of anti-adhesive compounds to combat multi-resistance bacterial infections.
 
Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.,Gajdos L, Blakeley MP, Haertlein M, Forsyth VT, Devos JM, Imberty A Nat Commun. 2022 Jan 11;13(1):194. doi: 10.1038/s41467-021-27871-8. PMID:35017516<ref>PMID:35017516</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 7prg" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Blakeley, M P]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Devos, J M]]
[[Category: Blakeley MP]]
[[Category: Forsyth, T V]]
[[Category: Devos JM]]
[[Category: Gajdos, L]]
[[Category: Forsyth TV]]
[[Category: Haertlein, M]]
[[Category: Gajdos L]]
[[Category: Imberty, A]]
[[Category: Haertlein M]]
[[Category: Complex]]
[[Category: Imberty A]]
[[Category: Lectin]]
[[Category: Sugar binding protein]]

Latest revision as of 07:52, 1 May 2024

Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose

7prg, resolution 1.85Å

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