Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
We have applied molecular dynamics methods as a tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a...
| Main Authors: | , |
|---|---|
| Format: | Proceeding Paper |
| Language: | English |
| Published: |
2011
|
| Subjects: | |
| Online Access: | http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf |
| _version_ | 1848776243027116032 |
|---|---|
| author | Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah |
| author_facet | Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah |
| author_sort | Noorbatcha, Ibrahim Ali |
| building | IIUM Repository |
| collection | Online Access |
| description | We have applied molecular dynamics methods as a
tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes
structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural
fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Bacillus circulans xylanase (BcX) have been carried at 318K (optimum catalytic temperature) and 343K (BcX reported inactive temperature). Structural analysis revealed that the fluctuations of the β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum
temperature. |
| first_indexed | 2025-11-14T14:26:59Z |
| format | Proceeding Paper |
| id | iium-3954 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T14:26:59Z |
| publishDate | 2011 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-39542021-06-29T02:23:50Z http://irep.iium.edu.my/3954/ Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah TP248.13 Biotechnology We have applied molecular dynamics methods as a tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Bacillus circulans xylanase (BcX) have been carried at 318K (optimum catalytic temperature) and 343K (BcX reported inactive temperature). Structural analysis revealed that the fluctuations of the β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum temperature. 2011-05-17 Proceeding Paper PeerReviewed application/pdf en http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf Noorbatcha, Ibrahim Ali and Mohd. Salleh, Hamzah (2011) Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase. In: International Conference on Biotechnology Engineering, ICBioE’11, 17-19 May, 2011 , Kuala Lumpur. http://www.iium.edu.my/icbioe/2011/ |
| spellingShingle | TP248.13 Biotechnology Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title | Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title_full | Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title_fullStr | Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title_full_unstemmed | Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title_short | Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase |
| title_sort | molecular dynamics approach in designing thermostable bacillus circulans xylanase |
| topic | TP248.13 Biotechnology |
| url | http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf |