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Structure prediction of Proteins

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geetikaJethra

A study was carried out to predict the 3D structure and function of an unidentified wheat protein (CAA35597.1) using LOMETS and I-TASSER servers. The servers were able to predict a high quality 3D structure of the wheat protein based on its amino acid sequence. The predicted structure was further analyzed and accepted in the Protein Model Database.

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Structure and function prediction of unknown wheat protein using LOMETS and I-TASSER By: Geetika Jethra Senior Research Fellow (SRF) Indian Agricultural Research Centre Page 1
In-silico analysis of proteins A study was carried out to investigate the in-silico analysis of 2D and 3D structure prediction of protein with an unidentified structure and function in Triticum aestivum. Primary structure prediction and physicochemical were characterization(PROTPARAM) A high quality 3D structure and function of Wheat protein (CAA35597.1) from NCBI has been predicted for the hypothetical amino acid sequence using LOMETS (LOcal MEta-Threading-Server) and ITASSER (Iterative Threading Assembly Refinement) servers Page 2
Secondary structure of CAA35597.1 Tertiary structure of CAA35597.1 Page 3
Ramachandran plot showing amino acids in allowed region Page 4
Predicted functions for CAA35597.1 Page 5
In-silico analysis of proteins The predicted structure was further analyzed and submitted to Protein molecular database and got accepted. Reference Details: PMDBID: PM007754 Authors: - Jethra, G., Mishra, A.K., Pandey, P.S. & Chandrasekhran, H.(2011) Page 6
Future Aspects The predicted structure can further be validated by wet lab experiments. Using the predicted cleavage site we can construct the resistant variety The PDB file can be submitted to Protein Databases for homology search Compare structures Homologous Mutants With or without ligands Page 7

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Structure prediction of Proteins

  • 1. Structure and function prediction of unknown wheat protein using LOMETS and I-TASSER By: Geetika Jethra Senior Research Fellow (SRF) Indian Agricultural Research Centre Page 1
  • 2. In-silico analysis of proteins A study was carried out to investigate the in-silico analysis of 2D and 3D structure prediction of protein with an unidentified structure and function in Triticum aestivum. Primary structure prediction and physicochemical were characterization(PROTPARAM) A high quality 3D structure and function of Wheat protein (CAA35597.1) from NCBI has been predicted for the hypothetical amino acid sequence using LOMETS (LOcal MEta-Threading-Server) and ITASSER (Iterative Threading Assembly Refinement) servers Page 2
  • 3. Secondary structure of CAA35597.1 Tertiary structure of CAA35597.1 Page 3
  • 4. Ramachandran plot showing amino acids in allowed region Page 4
  • 6. In-silico analysis of proteins The predicted structure was further analyzed and submitted to Protein molecular database and got accepted. Reference Details: PMDBID: PM007754 Authors: - Jethra, G., Mishra, A.K., Pandey, P.S. & Chandrasekhran, H.(2011) Page 6
  • 7. Future Aspects The predicted structure can further be validated by wet lab experiments. Using the predicted cleavage site we can construct the resistant variety The PDB file can be submitted to Protein Databases for homology search Compare structures Homologous Mutants With or without ligands Page 7