Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy
The computational structural models of human tyrosyl-tRNA synthetase and its mutant form G41R (Charcot-Marie-Tooth associated) were constructed, while their whole structural coordinates are still unknown. Grid-services of MolDynGrid Virtual Laboratory and Ukrainian National Grid-infrastructure were...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
National Academy of Sciences of Ukraine, Palladin Institute of Biochemistry
2015-12-01
|
| Series: | The Ukrainian Biochemical Journal |
| Subjects: | |
| Online Access: | http://ukrbiochemjournal.org/wp-content/uploads/2015/12/Savytskyi_6_15.pdf |
| _version_ | 1797641760690667520 |
|---|---|
| author | O. V. Savytskyi A. I. Kornelyuk |
| author_facet | O. V. Savytskyi A. I. Kornelyuk |
| author_sort | O. V. Savytskyi |
| collection | DOAJ |
| description | The computational structural models of human tyrosyl-tRNA synthetase and its mutant form G41R (Charcot-Marie-Tooth associated) were constructed, while their whole structural coordinates are still unknown. Grid-services of MolDynGrid Virtual Laboratory and Ukrainian National Grid-infrastructure were used for molecular dynamics (MD) simulations. The analyses of trajectories of MD simulations have shown the β-sheet formation in region Lys147 – Glu157 between Н9 and Н10 helices (CP1 insertion of Rossman fold) for G41R mutant. |
| first_indexed | 2024-03-11T13:50:17Z |
| format | Article |
| id | doaj.art-7e9942cd68914b538a5475777981b6b9 |
| institution | Directory Open Access Journal |
| issn | 2409-4943 2409-4943 |
| language | English |
| last_indexed | 2024-03-11T13:50:17Z |
| publishDate | 2015-12-01 |
| publisher | National Academy of Sciences of Ukraine, Palladin Institute of Biochemistry |
| record_format | Article |
| series | The Ukrainian Biochemical Journal |
| spelling | doaj.art-7e9942cd68914b538a5475777981b6b92023-11-02T09:08:09ZengNational Academy of Sciences of Ukraine, Palladin Institute of BiochemistryThe Ukrainian Biochemical Journal2409-49432409-49432015-12-0187614215310.15407/ubj87.06.142Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathyO. V. Savytskyi0 A. I. Kornelyuk1Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, KyivInstitute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, KyivThe computational structural models of human tyrosyl-tRNA synthetase and its mutant form G41R (Charcot-Marie-Tooth associated) were constructed, while their whole structural coordinates are still unknown. Grid-services of MolDynGrid Virtual Laboratory and Ukrainian National Grid-infrastructure were used for molecular dynamics (MD) simulations. The analyses of trajectories of MD simulations have shown the β-sheet formation in region Lys147 – Glu157 between Н9 and Н10 helices (CP1 insertion of Rossman fold) for G41R mutant.http://ukrbiochemjournal.org/wp-content/uploads/2015/12/Savytskyi_6_15.pdfCharcot-Marie-Tooth neuropathycomputer modelingCP1 insertionG41Rgrid computingMolDynGridmolecular dynamicsmutant form of tyrosyl-tRNA synthetase (HsTyrRS) |
| spellingShingle | O. V. Savytskyi A. I. Kornelyuk Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy The Ukrainian Biochemical Journal Charcot-Marie-Tooth neuropathy computer modeling CP1 insertion G41R grid computing MolDynGrid molecular dynamics mutant form of tyrosyl-tRNA synthetase (HsTyrRS) |
| title | Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy |
| title_full | Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy |
| title_fullStr | Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy |
| title_full_unstemmed | Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy |
| title_short | Computational modeling of molecular dynamics of G41R mutant form of human tyrosyl-tRNA synthetase, assosiated with Charcot-Marie-Tooth neuropathy |
| title_sort | computational modeling of molecular dynamics of g41r mutant form of human tyrosyl trna synthetase assosiated with charcot marie tooth neuropathy |
| topic | Charcot-Marie-Tooth neuropathy computer modeling CP1 insertion G41R grid computing MolDynGrid molecular dynamics mutant form of tyrosyl-tRNA synthetase (HsTyrRS) |
| url | http://ukrbiochemjournal.org/wp-content/uploads/2015/12/Savytskyi_6_15.pdf |
| work_keys_str_mv | AT ovsavytskyi computationalmodelingofmoleculardynamicsofg41rmutantformofhumantyrosyltrnasynthetaseassosiatedwithcharcotmarietoothneuropathy AT aikornelyuk computationalmodelingofmoleculardynamicsofg41rmutantformofhumantyrosyltrnasynthetaseassosiatedwithcharcotmarietoothneuropathy |