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1qy2

From Proteopedia

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(New page: 200px<br /><applet load="1qy2" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qy2, resolution 1.75&Aring;" /> '''Thermodynamics of Bi...)
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[[Image:1qy2.gif|left|200px]]<br /><applet load="1qy2" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1qy2, resolution 1.75&Aring;" />
 
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'''Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein'''<br />
 
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==Overview==
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==Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein==
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In the present study we examine the thermodynamics of binding of two, related pyrazine-derived ligands to the major urinary protein, MUP-I, using a combination of isothermal titration calorimetry (ITC), X-ray, crystallography, and NMR backbone (15)N and methyl side-chain (2)H, relaxation measurements. Global thermodynamics data derived from ITC, indicate that binding is driven by favorable enthalpic contributions, rather than the classical entropy-driven hydrophobic effect. Unfavorable, entropic contributions from the protein backbone and side-chain residues, in the vicinity of the binding pocket are partially offset by favorable, entropic contributions at adjacent positions, suggesting a "conformational, relay" mechanism whereby increased rigidity of residues on ligand binding, are accompanied by increased conformational freedom of side chains in, adjacent positions. The principal driving force governing ligand affinity, and specificity can be attributed to solvent-driven enthalpic effects from, desolvation of the protein binding pocket.
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<StructureSection load='1qy2' size='340' side='right'caption='[[1qy2]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1qy2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QY2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QY2 FirstGlance]. <br>
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1QY2 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with CD, NA and IPZ as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QY2 OCA].
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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]] 1.75&#8491;</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=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=IPZ:2-ISOPROPYL-3-METHOXYPYRAZINE'>IPZ</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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==Reference==
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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=1qy2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qy2 OCA], [https://pdbe.org/1qy2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qy2 RCSB], [https://www.ebi.ac.uk/pdbsum/1qy2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qy2 ProSAT]</span></td></tr>
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Thermodynamics of binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the major urinary protein., Bingham RJ, Findlay JB, Hsieh SY, Kalverda AP, Kjellberg A, Perazzolo C, Phillips SE, Seshadri K, Trinh CH, Turnbull WB, Bodenhausen G, Homans SW, J Am Chem Soc. 2004 Feb 18;126(6):1675-81. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14871097 14871097]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/MUP2_MOUSE MUP2_MOUSE] Binds pheromones that are released from drying urine of males. These pheromones affect the sexual behavior of females.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qy/1qy2_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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=1qy2 ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
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[[Category: Single protein]]
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[[Category: Bingham RJ]]
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[[Category: Bingham, R.J.]]
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[[Category: Bodenhausen G]]
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[[Category: Bodenhausen, G.]]
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[[Category: Findlay JBC]]
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[[Category: Findlay, J.B.C.]]
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[[Category: Homans SW]]
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[[Category: Homans, S.W.]]
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[[Category: Hsieh S-Y]]
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[[Category: Hsieh, S.Y.]]
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[[Category: Kalverda AP]]
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[[Category: Kalverda, A.P.]]
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[[Category: Kjellberg A]]
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[[Category: Kjellberg, A.]]
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[[Category: Perazzolo C]]
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[[Category: Perazzolo, C.]]
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[[Category: Phillips SEV]]
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[[Category: Phillips, S.E.V.]]
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[[Category: Seshadri K]]
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[[Category: Seshadri, K.]]
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[[Category: Trinh CH]]
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[[Category: Trinh, C.H.]]
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[[Category: Turnbull WB]]
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[[Category: Turnbull, W.B.]]
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[[Category: CD]]
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[[Category: IPZ]]
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[[Category: NA]]
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[[Category: 2-methoxy-3-isopropylpyrazine]]
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[[Category: beta-barrel]]
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[[Category: lipocalin]]
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[[Category: mup1]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 01:06:43 2007''
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Current revision

Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein

PDB ID 1qy2

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