Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk
Solid-state NMR and molecular dynamics (MD) simulations are presented to help elucidate the molecular secondary structure of poly(Gly-Gly-X), which is one of the most common structural repetitive motifs found in orb-weaving dragline spider silk proteins. The combination of NMR and computational expe...
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Veröffentlicht in: | International journal of molecular sciences 2016-12, Vol.17 (12), p.2023-2023 |
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container_title | International journal of molecular sciences |
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creator | Gray, Geoffrey M van der Vaart, Arjan Guo, Chengchen Jones, Justin Onofrei, David Cherry, Brian R Lewis, Randolph V Yarger, Jeffery L Holland, Gregory P |
description | Solid-state NMR and molecular dynamics (MD) simulations are presented to help elucidate the molecular secondary structure of poly(Gly-Gly-X), which is one of the most common structural repetitive motifs found in orb-weaving dragline spider silk proteins. The combination of NMR and computational experiments provides insight into the molecular secondary structure of poly(Gly-Gly-X) segments and provides further support that these regions are disordered and primarily non-β-sheet. Furthermore, the combination of NMR and MD simulations illustrate the possibility for several secondary structural elements in the poly(Gly-Gly-X) regions of dragline silks, including β-turns, 3
-helicies, and coil structures with a negligible population of α-helix observed. |
doi_str_mv | 10.3390/ijms17122023 |
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-helicies, and coil structures with a negligible population of α-helix observed.</description><subject>Amino Acid Sequence</subject><subject>Animals</subject><subject>Araneae</subject><subject>Fibroins - chemistry</subject><subject>Molecular biology</subject><subject>Molecular Dynamics Simulation</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Nuclear Magnetic Resonance, Biomolecular</subject><subject>Protein Structure, Secondary</subject><subject>Repetitive Sequences, Amino Acid</subject><subject>Silk</subject><subject>Simulation</subject><issn>1422-0067</issn><issn>1661-6596</issn><issn>1422-0067</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><sourceid>8G5</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNqNkcFrFTEQxoMotlZvniXgxYOrmWw2yV6EUm0rFASforeQzc6-5rlvs02yhfffm0dreXryMMzA_PiYbz5CXgJ7V9cte-832wQKOGe8fkSOQXBeMSbV44P5iDxLacMKwZv2KTniqgUthD4mP1bowtTbuKOrHBeXl4j0tA9zxp52O5qvkV6Mu2pfP-lXnDH77G-xjGsfpkTDQD9Gux79hHQ1-x4jXfnx13PyZLBjwhf3_YR8P__07eyyuvpy8fns9KpyDUCuupYBcNEqxUC2XGo3MA59A620SgoFAmVrFXOdlUw7x6FTQuluULLTIGR9Qj7c6c5Lt8Xe4ZSjHc0c_bZ4MsF68_dm8tdmHW5NA1ppXheBN_cCMdwsmLLZ-uRwHO2EYUkGtNQ1Z43g_4GWg6Qufgr6-h90E5Y4lU8UqtH7GBQU6u0d5WJIKeLwcDcwsw_XHIZb8FeHXh_gP2nWvwH0J54A</recordid><startdate>20161202</startdate><enddate>20161202</enddate><creator>Gray, Geoffrey M</creator><creator>van der Vaart, Arjan</creator><creator>Guo, Chengchen</creator><creator>Jones, Justin</creator><creator>Onofrei, David</creator><creator>Cherry, Brian R</creator><creator>Lewis, Randolph V</creator><creator>Yarger, Jeffery L</creator><creator>Holland, Gregory P</creator><general>MDPI AG</general><general>MDPI</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>8G5</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>K9.</scope><scope>M0S</scope><scope>M1P</scope><scope>M2O</scope><scope>MBDVC</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>Q9U</scope><scope>7X8</scope><scope>7TK</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0002-7385-5400</orcidid><orcidid>https://orcid.org/0000-0001-9253-3469</orcidid></search><sort><creationdate>20161202</creationdate><title>Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk</title><author>Gray, Geoffrey M ; 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subjects | Amino Acid Sequence Animals Araneae Fibroins - chemistry Molecular biology Molecular Dynamics Simulation NMR Nuclear magnetic resonance Nuclear Magnetic Resonance, Biomolecular Protein Structure, Secondary Repetitive Sequences, Amino Acid Silk Simulation |
title | Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk |
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