2gkt

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{{Seed}}
 
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[[Image:2gkt.png|left|200px]]
 
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==Crystal structure of the P14'-Ala32 variant of the N-terminally truncated OMTKY3-del(1-5)==
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The line below this paragraph, containing "STRUCTURE_2gkt", creates the "Structure Box" on the page.
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<StructureSection load='2gkt' size='340' side='right'caption='[[2gkt]], [[Resolution|resolution]] 1.23&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2gkt]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Meleagris_gallopavo Meleagris gallopavo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GKT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GKT FirstGlance]. <br>
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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]] 1.23&#8491;</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=2gkt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gkt OCA], [https://pdbe.org/2gkt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gkt RCSB], [https://www.ebi.ac.uk/pdbsum/2gkt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gkt ProSAT]</span></td></tr>
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{{STRUCTURE_2gkt| PDB=2gkt | SCENE= }}
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/IOVO_MELGA IOVO_MELGA]
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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/gk/2gkt_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2gkt ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Sequence-to-reactivity algorithms (SRAs) for proteins have the potential of being broadly applied in molecular design. Recently, Laskowski et al. have reported an additivity-based SRA that accurately predicts most of the standard free energy changes of association for variants of turkey ovomucoid third domain (OMTKY3) with six serine peptidases, one of which is streptogrisin B (commonly known as Streptomyces griseus peptidase B, SGPB). Non-additivity effects for residues 18I and 32I, and for residues 20I and 32I of OMTKY3 occurred when the associations with SGPB were predicted using the SRA. To elucidate precisely the mechanics of these non-additivity effects in structural terms, we have determined the crystal structures of the unbound OMTKY3 (with Gly32I as in the wild-type amino acid sequence) at a resolution of 1.16 A, the unbound Ala32I variant of OMTKY3 at a resolution of 1.23 A, and the SGPB:OMTKY3-Ala32I complex (equilibrium association constant K(a)=7.1x10(9) M(-1) at 21(+/-2) C degrees, pH 8.3) at a resolution of 1.70 A. Extensive comparisons with the crystal structure of the unbound OMTKY3 confirm our understanding of some previously addressed non-additivity effects. Unexpectedly, SGPB and OMTKY3-Ala32I form a 1:2 complex in the crystal. Comparison with the SGPB:OMTKY3 complex shows a conformational change in the SGPB:OMTKY3-Ala32I complex, resulting from a hinged rigid-body rotation of the inhibitor caused by the steric hindrance between the methyl group of Ala32IA of the inhibitor and Pro192BE of the peptidase. This perturbs the interactions among residues 18I, 20I, 32I and 36I of the inhibitor, probably resulting in the above non-additivity effects. This conformational change also introduces residue 10I as an additional hyper-variable contact residue to the SRA.
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===Crystal structure of the P14'-Ala32 variant of the N-terminally truncated OMTKY3-del(1-5)===
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Structural insights into the non-additivity effects in the sequence-to-reactivity algorithm for serine peptidases and their inhibitors.,Lee TW, Qasim MA, Laskowski M Jr, James MN J Mol Biol. 2007 Mar 23;367(2):527-46. Epub 2007 Jan 9. PMID:17266986<ref>PMID:17266986</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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The line below this paragraph, {{ABSTRACT_PUBMED_17266986}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2gkt" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 17266986 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_17266986}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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2GKT is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Meleagris_gallopavo Meleagris gallopavo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GKT OCA].
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==Reference==
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<ref group="xtra">PMID:17266986</ref><references group="xtra"/>
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[[Category: Meleagris gallopavo]]
[[Category: Meleagris gallopavo]]
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[[Category: James, M N.G.]]
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[[Category: James MNG]]
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[[Category: Jr., M Laskowski.]]
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[[Category: Laskowski Jr M]]
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[[Category: Lee, T W.]]
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[[Category: Lee TW]]
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[[Category: Qasim, M A.]]
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[[Category: Qasim MA]]
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[[Category: Alpha-helix]]
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[[Category: Antiparallel beta-sheet]]
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[[Category: Reactive-site loop]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 10:12:05 2009''
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Current revision

Crystal structure of the P14'-Ala32 variant of the N-terminally truncated OMTKY3-del(1-5)

PDB ID 2gkt

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