Structural modeling of LAG-3 protein and immunoglobulin domains

Lymphocyte-activation gene 3 (LAG3) is a protein that limits the activity of T-cells, which down regulates the immune system. The protein functions can be determined from its structure. However, there is currently no available structure of LAG3 in any database. In order to fully understand its funct...

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Main Author: Lai, Marcel Chang Long
Other Authors: Kwoh Chee Keong
Format: Final Year Project
Language:English
Published: 2014
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Online Access:http://hdl.handle.net/10356/59087
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-590872023-03-03T20:35:28Z Structural modeling of LAG-3 protein and immunoglobulin domains Lai, Marcel Chang Long Kwoh Chee Keong School of Computer Engineering DRNTU::Engineering::Computer science and engineering Lymphocyte-activation gene 3 (LAG3) is a protein that limits the activity of T-cells, which down regulates the immune system. The protein functions can be determined from its structure. However, there is currently no available structure of LAG3 in any database. In order to fully understand its functions, there is a need to model the structure of LAG3. With the rapid growth of computational development, there are various tools available for modeling protein structure. In this project, three current popular tools, I-TASSER, MODELLER and SWISS-MODEL will be employed to predict and evaluate the LAG3 structure. LAG3 structural modeling by I-TASSER and SWISS-MODEL was done using the online interface and modeling in MODELLER was done using a standalone package. After the LAG3 models were initially constructed, PyMOL was used to align those models and the RMSD values were estimated. RMSD helps to compare how much the model deviate from one another. Finally, energy minimization was performed using Swiss-Pdb Viewer to optimize the structures, and comparisons were done among the optimal structures. It is evident from the findings that the I-TASSER model shows the most favorable prediction of the LAG3 structure among the three tools. With the model of LAG3 structure formed, further research can be done on molecular dynamics simulations of the LAG3 protein. Furthermore, different types of antibodies can be researched on to find out which antibodies are able to respond to the LAG3 protein. Bachelor of Engineering (Computer Engineering) 2014-04-22T07:42:07Z 2014-04-22T07:42:07Z 2014 2014 Final Year Project (FYP) http://hdl.handle.net/10356/59087 en Nanyang Technological University 63 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic DRNTU::Engineering::Computer science and engineering
spellingShingle DRNTU::Engineering::Computer science and engineering
Lai, Marcel Chang Long
Structural modeling of LAG-3 protein and immunoglobulin domains
description Lymphocyte-activation gene 3 (LAG3) is a protein that limits the activity of T-cells, which down regulates the immune system. The protein functions can be determined from its structure. However, there is currently no available structure of LAG3 in any database. In order to fully understand its functions, there is a need to model the structure of LAG3. With the rapid growth of computational development, there are various tools available for modeling protein structure. In this project, three current popular tools, I-TASSER, MODELLER and SWISS-MODEL will be employed to predict and evaluate the LAG3 structure. LAG3 structural modeling by I-TASSER and SWISS-MODEL was done using the online interface and modeling in MODELLER was done using a standalone package. After the LAG3 models were initially constructed, PyMOL was used to align those models and the RMSD values were estimated. RMSD helps to compare how much the model deviate from one another. Finally, energy minimization was performed using Swiss-Pdb Viewer to optimize the structures, and comparisons were done among the optimal structures. It is evident from the findings that the I-TASSER model shows the most favorable prediction of the LAG3 structure among the three tools. With the model of LAG3 structure formed, further research can be done on molecular dynamics simulations of the LAG3 protein. Furthermore, different types of antibodies can be researched on to find out which antibodies are able to respond to the LAG3 protein.
author2 Kwoh Chee Keong
author_facet Kwoh Chee Keong
Lai, Marcel Chang Long
format Final Year Project
author Lai, Marcel Chang Long
author_sort Lai, Marcel Chang Long
title Structural modeling of LAG-3 protein and immunoglobulin domains
title_short Structural modeling of LAG-3 protein and immunoglobulin domains
title_full Structural modeling of LAG-3 protein and immunoglobulin domains
title_fullStr Structural modeling of LAG-3 protein and immunoglobulin domains
title_full_unstemmed Structural modeling of LAG-3 protein and immunoglobulin domains
title_sort structural modeling of lag-3 protein and immunoglobulin domains
publishDate 2014
url http://hdl.handle.net/10356/59087
_version_ 1759857791090032640