3t6f: Difference between revisions
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[[ | ==Biotin complex of Y54F core streptavidin== | ||
<StructureSection load='3t6f' size='340' side='right' caption='[[3t6f]], [[Resolution|resolution]] 1.22Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3t6f]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_avidinii Streptomyces avidinii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T6F FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BSO:BIOTIN-D-SULFOXIDE'>BSO</scene>, <scene name='pdbligand=BTN:BIOTIN'>BTN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3t6l|3t6l]]</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=3t6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t6f RCSB], [http://www.ebi.ac.uk/pdbsum/3t6f PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
We report a point mutation in the second contact shell of the high-affinity streptavidin-biotin complex that appears to reduce binding affinity through transmitted effects on equilibrium dynamics. The Y54F streptavidin mutation causes a 75-fold loss of binding affinity with 73-fold faster dissociation, a large loss of binding enthalpy (DeltaDeltaH, 3.4 kcal/mol at 37 masculineC) and a small gain in binding entropy (TDeltaDeltaS, 0.7 kcal/mol). The removed Y54 hydroxyl is replaced by a water molecule in the bound structure, but there are no observable changes in structure in the first contact shell and no additional changes surrounding the mutation. Molecular dynamics simulations reveal a large increase in atomic fluctuations for W79, a key biotin contact residue, compared to the wild type complex. The increased W79 fluctuations are caused by loss of water-mediated hydrogen bonds between the Y54 hydroxyl group and peptide backbone atoms in and near W79. We propose that the increased fluctuations diminish the integrity of the W79-biotin interaction and represent a loosening of the "tryptophan collar" which is critical to the slow dissociation and high affinity of streptavidin-biotin binding. These results illustrate how changes in protein dynamics distal to the ligand binding pocket can have a profound impact on ligand binding, even when equilibrium structure is unperturbed. | |||
Second Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity Through Transmitted Effects on Equilibrium Dynamics.,Baugh L, Le Trong I, Cerutti DS, Mehta N, Gulich S, Stayton PS, Stenkamp RE, Lybrand TP Biochemistry. 2011 Dec 6. PMID:22145986<ref>PMID:22145986</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | ==See Also== | ||
*[[Avidin|Avidin]] | *[[Avidin|Avidin]] | ||
== References == | |||
== | <references/> | ||
< | __TOC__ | ||
</StructureSection> | |||
[[Category: Streptomyces avidinii]] | [[Category: Streptomyces avidinii]] | ||
[[Category: Baugh, L | [[Category: Baugh, L]] | ||
[[Category: Cerutti, D S | [[Category: Cerutti, D S]] | ||
[[Category: Gulich, S | [[Category: Gulich, S]] | ||
[[Category: Lybrand, T P | [[Category: Lybrand, T P]] | ||
[[Category: Mehta, N | [[Category: Mehta, N]] | ||
[[Category: Stayton, P S | [[Category: Stayton, P S]] | ||
[[Category: Stenkamp, R E | [[Category: Stenkamp, R E]] | ||
[[Category: Trong, I Le | [[Category: Trong, I Le]] | ||
[[Category: Biotin binding protein]] | [[Category: Biotin binding protein]] | ||
Revision as of 12:08, 9 December 2014
Biotin complex of Y54F core streptavidin
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