Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2014 |
| Outros Autores: | , , , , , , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Institucional da FIOCRUZ (ARCA) |
| Texto Completo: | https://www.arca.fiocruz.br/handle/icict/10703 |
Resumo: | Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil. |
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Silva, Carolina CruzeiroGomes Neto, FranciscoMachado, Luciana E. S. F.Myamoto, Catarina A.Pinheiro, Anderson S.Pereira, Natalia CorreaMagalhães, Mariana T. Q. deValente, Ana PaulaAlmeida, Fabio C. L.2015-06-08T14:01:53Z2015-06-08T14:01:53Z2014SILVA, Carolina Cruzeiro et al. Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange. Biochemistry, v.53, n.18, p.2890–2902, 2014.0006-2960https://www.arca.fiocruz.br/handle/icict/1070310.1021/bi401542vengAmerican Chemical SocietyHydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchangeinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleUniversidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Toxonologia. Rio de Janeiro, RJ, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.Faculdades Integradas de Três Lagoas - AEMS. Três Lagoas, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Química. Rio de Janeiro, RJ, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil.One of the ancestral features of thioredoxins is the presence of a water cavity. Here, we report that a largely hydrated, conserved, buried aspartic acid in the water cavity modulates the dynamics of the interacting loops of yeast thioredoxin 1 (yTrx1). It is well-established that the aspartic acid, Asp24 for yTrx1, works as a proton acceptor in the reduction of the target protein. We propose a complementary role for Asp24 of coupling hydration and conformational motion of the water cavity and interacting loops. The intimate contact between the water cavity and the interacting loops means that motion at the water cavity will affect the interacting loops and vice versa. The D24N mutation alters the conformational equilibrium for both the oxidized and reduced states, quenching the conformational motion in the water cavity. By measuring the hydration and molecular dynamics simulation of wild-type yTrx1 and the D24N mutant, we showed that Asn24 is more exposed to water than Asp24 and the water cavity is smaller in the mutant, closing the inner part of the water cavity. We discuss how the conformational equilibrium contributes to the mechanism of catalysis and H+ exchange.ThioredoxinYeast ThioredoxinTiorredoxinasProteínas Fúngicasinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txttext/plain1914https://www.arca.fiocruz.br/bitstream/icict/10703/1/license.txt7d48279ffeed55da8dfe2f8e81f3b81fMD51ORIGINALfrancisco_netoetal_IOC_2014.pdfapplication/pdf5780156https://www.arca.fiocruz.br/bitstream/icict/10703/2/francisco_netoetal_IOC_2014.pdf1328f475e6d2ab079ec5f20184583aeaMD52TEXTfrancisco_netoetal_IOC_2014.pdf.txtfrancisco_netoetal_IOC_2014.pdf.txtExtracted texttext/plain66827https://www.arca.fiocruz.br/bitstream/icict/10703/3/francisco_netoetal_IOC_2014.pdf.txtf65e7c710e3a7265b3d3d6d52fdd87f2MD53icict/107032022-06-24 13:10:55.758oai:www.arca.fiocruz.br:icict/10703TElDRU7Dh0EgREUgRElTVFJJQlVJw4fDg08gTsODTy1FWENMVVNJVkEKCkFvIGNvbmNvcmRhciBlIGFjZWl0YXIgZXN0YSBsaWNlbsOnYSB2b2PDqiAoYXV0b3Igb3UgZGV0ZW50b3IgZG9zIGRpcmVpdG9zIGF1dG9yYWlzKToKCmEpIERlY2xhcmEgcXVlIGNvbmhlY2UgYSBwb2zDrXRpY2EgZGUgY29weXJpZ2h0IGRhIGVkaXRvcmEgZG8gc2V1IGRvY3VtZW50by4KCmIpIERlY2xhcmEgcXVlIGNvbmhlY2UgZSBhY2VpdGEgYXMgRGlyZXRyaXplcyBwYXJhIG8gUmVwb3NpdMOzcmlvIEluc3RpdHVjaW9uYWwgZGEgRnVuZGHDp8OjbyBPc3dhbGRvIENydXogKEZJT0NSVVopLgoKYykgQ29uY2VkZSDDoCBGSU9DUlVaIG8gZGlyZWl0byBuw6NvLWV4Y2x1c2l2byBkZSBhcnF1aXZhciwgcmVwcm9kdXppciwgY29udmVydGVyIChjb21vIGRlZmluaWRvIGEgc2VndWlyKSwgY29tdW5pY2FyCiAKZS9vdSBkaXN0cmlidWlyIG5vIFJlcG9zaXTDs3JpbyBkYSBGSU9DUlVaLCBvIGRvY3VtZW50byBlbnRyZWd1ZSAoaW5jbHVpbmRvIG8gcmVzdW1vL2Fic3RyYWN0KSBlbSBmb3JtYXRvIGRpZ2l0YWwgb3UgCgpwb3IgcXVhbHF1ZXIgb3V0cm8gbWVpby4KCmQpIERlY2xhcmEgcXVlIGF1dG9yaXphIGEgRklPQ1JVWiBhIGFycXVpdmFyIG1haXMgZGUgdW1hIGPDs3BpYSBkZXN0ZSBkb2N1bWVudG8gZSBjb252ZXJ0w6otbG8sIHNlbSBhbHRlcmFyIG8gc2V1IGNvbnRlw7pkbywgCgpwYXJhIHF1YWxxdWVyIGZvcm1hdG8gZGUgYXJxdWl2bywgbWVpbyBvdSBzdXBvcnRlLCBwYXJhIGVmZWl0b3MgZGUgc2VndXJhbsOnYSwgcHJlc2VydmHDp8OjbyAoYmFja3VwKSBlIGFjZXNzby4KCmUpIERlY2xhcmEgcXVlIG8gZG9jdW1lbnRvIHN1Ym1ldGlkbyDDqSBvIHNldSB0cmFiYWxobyBvcmlnaW5hbCwgZSBxdWUgZGV0w6ltIG8gZGlyZWl0byBkZSBjb25jZWRlciBhIHRlcmNlaXJvcyBvcyBkaXJlaXRvcyAKCmNvbnRpZG9zIG5lc3RhIGxpY2Vuw6dhLiBEZWNsYXJhIHRhbWLDqW0gcXVlIGEgZW50cmVnYSBkbyBkb2N1bWVudG8gbsOjbyBpbmZyaW5nZSBvcyBkaXJlaXRvcyBkZSBxdWFscXVlciBvdXRyYSBwZXNzb2Egb3UgZW50aWRhZGUuCgpmKSBEZWNsYXJhIHF1ZSwgbm8gY2FzbyBkbyBkb2N1bWVudG8gc3VibWV0aWRvIGNvbnRlciBtYXRlcmlhbCBkbyBxdWFsIG7Do28gZGV0w6ltIG9zIGRpcmVpdG9zIGRlIGF1dG9yLCBvYnRldmUgYSBhdXRvcml6YcOnw6NvIAoKaXJyZXN0cml0YSBkbyByZXNwZWN0aXZvIGRldGVudG9yIGRlc3NlcyBkaXJlaXRvcywgcGFyYSBjZWRlciBhIEZJT0NSVVogb3MgZGlyZWl0b3MgcmVxdWVyaWRvcyBwb3IgZXN0YSBMaWNlbsOnYSBlIGF1dG9yaXphciBhIAoKdXRpbGl6w6EtbG9zIGxlZ2FsbWVudGUuIERlY2xhcmEgdGFtYsOpbSBxdWUgZXNzZSBtYXRlcmlhbCBjdWpvcyBkaXJlaXRvcyBzw6NvIGRlIHRlcmNlaXJvcyBlc3TDoSBjbGFyYW1lbnRlIGlkZW50aWZpY2FkbyBlIHJlY29uaGVjaWRvIAoKbm8gdGV4dG8gb3UgY29udGXDumRvIGRvIGRvY3VtZW50byBlbnRyZWd1ZS4KCmcpIFNFIE8gRE9DVU1FTlRPIEVOVFJFR1VFIMOJIEJBU0VBRE8gRU0gVFJBQkFMSE8gRklOQU5DSUFETyBPVSBBUE9JQURPIFBPUiBPVVRSQSBJTlNUSVRVScOHw4NPIFFVRSBOw4NPIEEgRklPQ1JVWiwgREVDTEFSQSBRVUUgQ1VNUFJJVSAKClFVQUlTUVVFUiBPQlJJR0HDh8OVRVMgRVhJR0lEQVMgUEVMTyBSRVNQRUNUSVZPIENPTlRSQVRPIE9VIEFDT1JETy4gQSBGSU9DUlVaIGlkZW50aWZpY2Fyw6EgY2xhcmFtZW50ZSBvKHMpIG5vbWUocykgZG8ocykgYXV0b3IoZXMpIGRvcyAKCmRpcmVpdG9zIGRvIGRvY3VtZW50byBlbnRyZWd1ZSBlIG7Do28gZmFyw6EgcXVhbHF1ZXIgYWx0ZXJhw6fDo28sIHBhcmEgYWzDqW0gZG8gcHJldmlzdG8gbmEgYWzDrW5lYSBjKS4KRepositório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352022-06-24T16:10:55Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false |
| dc.title.pt_BR.fl_str_mv |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| title |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| spellingShingle |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange Silva, Carolina Cruzeiro Thioredoxin Yeast Thioredoxin Tiorredoxinas Proteínas Fúngicas |
| title_short |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| title_full |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| title_fullStr |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| title_full_unstemmed |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| title_sort |
Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange |
| author |
Silva, Carolina Cruzeiro |
| author_facet |
Silva, Carolina Cruzeiro Gomes Neto, Francisco Machado, Luciana E. S. F. Myamoto, Catarina A. Pinheiro, Anderson S. Pereira, Natalia Correa Magalhães, Mariana T. Q. de Valente, Ana Paula Almeida, Fabio C. L. |
| author_role |
author |
| author2 |
Gomes Neto, Francisco Machado, Luciana E. S. F. Myamoto, Catarina A. Pinheiro, Anderson S. Pereira, Natalia Correa Magalhães, Mariana T. Q. de Valente, Ana Paula Almeida, Fabio C. L. |
| author2_role |
author author author author author author author author |
| dc.contributor.author.fl_str_mv |
Silva, Carolina Cruzeiro Gomes Neto, Francisco Machado, Luciana E. S. F. Myamoto, Catarina A. Pinheiro, Anderson S. Pereira, Natalia Correa Magalhães, Mariana T. Q. de Valente, Ana Paula Almeida, Fabio C. L. |
| dc.subject.en.pt_BR.fl_str_mv |
Thioredoxin Yeast Thioredoxin |
| topic |
Thioredoxin Yeast Thioredoxin Tiorredoxinas Proteínas Fúngicas |
| dc.subject.decs.pt_BR.fl_str_mv |
Tiorredoxinas Proteínas Fúngicas |
| description |
Universidade Federal do Rio de Janeiro. Instituto de Bioquímica Médica. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil. |
| publishDate |
2014 |
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2014 |
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2015-06-08T14:01:53Z |
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2015-06-08T14:01:53Z |
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info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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article |
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publishedVersion |
| dc.identifier.citation.fl_str_mv |
SILVA, Carolina Cruzeiro et al. Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange. Biochemistry, v.53, n.18, p.2890–2902, 2014. |
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https://www.arca.fiocruz.br/handle/icict/10703 |
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0006-2960 |
| dc.identifier.doi.pt_BR.fl_str_mv |
10.1021/bi401542v |
| identifier_str_mv |
SILVA, Carolina Cruzeiro et al. Hydration and Conformational Equilibrium in Yeast Thioredoxin 1: Implication for H+ Exchange. Biochemistry, v.53, n.18, p.2890–2902, 2014. 0006-2960 10.1021/bi401542v |
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