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==High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex==
==High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex==
<StructureSection load='1uzv' size='340' side='right' caption='[[1uzv]], [[Resolution|resolution]] 1.00&Aring;' scene=''>
<StructureSection load='1uzv' size='340' side='right'caption='[[1uzv]], [[Resolution|resolution]] 1.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1uzv]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UZV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1UZV FirstGlance]. <br>
<table><tr><td colspan='2'>[[1uzv]] 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=1UZV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1UZV FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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">X-ray diffraction, [[Resolution|Resolution]] 1&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1gzt|1gzt]], [[1our|1our]], [[1ous|1ous]], [[1oux|1oux]], [[1ovp|1ovp]], [[1ovs|1ovs]], [[1oxc|1oxc]], [[1w38|1w38]], [[1w43|1w43]], [[1w8f|1w8f]], [[1w8h|1w8h]]</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1uzv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1uzv OCA], [http://pdbe.org/1uzv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1uzv RCSB], [http://www.ebi.ac.uk/pdbsum/1uzv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1uzv 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=1uzv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1uzv OCA], [https://pdbe.org/1uzv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1uzv RCSB], [https://www.ebi.ac.uk/pdbsum/1uzv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1uzv ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9HYN5_PSEAE Q9HYN5_PSEAE]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1uzv ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1uzv ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
PA-IIL is a fucose-binding lectin from Pseudomonas aeruginosa that is closely related to the virulence factors of the bacterium. Previous structural studies have revealed a new carbohydrate-binding mode with direct involvement of two calcium ions (Mitchell E, Houles C, Sudakevitz D, Wimmerova M, Gautier C, Perez S, Wu AM, Gilboa-Garber N, Imberty A. Structural basis for selective recognition of oligosaccharides from cystic fibrosis patients by the lectin PA-IIL of Pseudomonas aeruginosa. Nat Struct Biol 2002;9:918-921). A combination of thermodynamic, structural, and computational methods has been used to study the basis of the high affinity for the monosaccharide ligand. A titration microcalorimetry study indicated that the high affinity is enthalpy driven. The crystal structure of the tetrameric PA-IIL in complex with fucose and calcium was refined to 1.0 A resolution and, in combination with modeling, allowed a proposal to be made for the hydrogen-bond network in the binding site. Calculations of partial charges using ab initio computational chemistry methods indicated that extensive delocalization of charges between the calcium ions, the side chains of the protein-binding site and the carbohydrate ligand is responsible for the high enthalpy of binding and therefore for the unusually high affinity observed for this unique mode of carbohydrate recognition.
High affinity fucose binding of Pseudomonas aeruginosa lectin PA-IIL: 1.0 A resolution crystal structure of the complex combined with thermodynamics and computational chemistry approaches.,Mitchell EP, Sabin C, Snajdrova L, Pokorna M, Perret S, Gautier C, Hofr C, Gilboa-Garber N, Koca J, Wimmerova M, Imberty A Proteins. 2005 Feb 15;58(3):735-46. PMID:15573375<ref>PMID:15573375</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1uzv" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Budova, M]]
[[Category: Budova M]]
[[Category: Gautier, C]]
[[Category: Gautier C]]
[[Category: Gilboa-Garber, N]]
[[Category: Gilboa-Garber N]]
[[Category: Imberty, A]]
[[Category: Imberty A]]
[[Category: Koca, J]]
[[Category: Koca J]]
[[Category: Mitchell, E]]
[[Category: Mitchell E]]
[[Category: Perret, S]]
[[Category: Perret S]]
[[Category: Sabin, C D]]
[[Category: Sabin CD]]
[[Category: Snajdrova, L]]
[[Category: Snajdrova L]]
[[Category: Wimmerova, M]]
[[Category: Wimmerova M]]
[[Category: Calcium]]
[[Category: Fucose]]
[[Category: Lectin]]

Latest revision as of 09:36, 1 May 2024

High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complexHigh affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex

Structural highlights

1uzv is a 4 chain structure with sequence from Pseudomonas aeruginosa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9HYN5_PSEAE

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

1uzv, resolution 1.00Å

Drag the structure with the mouse to rotate

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OCA
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