BIN-SX-Superposition

Structure Superposition

(Structure superposition and superposition-derived alignment)

 

Abstract:

This unit discusses the concepts and practice of structural superposition.

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Objectives: This unit will ... ... introduce the concepts of structural superposition; ... demonstrate the outcomes of superpositions in the presence and absence of sigificant sequence similarity; ... point you to servers that allow superposition-based searches for similar proteins ... list tutorials for superposition with Chimera and bio3d.

Outcomes: After working through this unit you ... ... can discover proteins that are structurally similar to a query; ... can compute a structural superposition with Chimera or bio3d; ... derive a superposition-based alignment.

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Deliverables:

Time management: Before you begin, estimate how long it will take you to complete this unit. Then, record in your course journal: the number of hours you estimated, the number of hours you worked on the unit, and the amount of time that passed between start and completion of this unit.

Journal: Document your progress in your Course Journal. Some tasks may ask you to include specific items in your journal. Don't overlook these.

Insights: If you find something particularly noteworthy about this unit, make a note in your insights! page.

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Prerequisites:
This unit builds on material covered in the following prerequisite units:

• BIN-ALI-Alignment (Sequence alignment concepts)
• BIN-SX-Chimera (UCSF ChimeraX: Structure Visualization and Analysis)
• RPR-SX-PDB (Analyzing PDB files)

 

 

 

Evaluation

Evaluation: NA

This unit is not evaluated for course marks.

Contents

Task:

• Read the introductory notes on the optimal superposition of protein 3D structures
• Browse over the Wikipedia article on Structural Superposition (although the article is called "Structural Alignment").

Put this into practice with ChimeraX:

Task:

 

• Open RStudio and load the ABC-units R project. If you have loaded it before, choose File → Recent projects → ABC-Units. If you have not loaded it before, follow the instructions in the RPR-Introduction unit.
• Choose Tools → Version Control → Pull Branches to fetch the most recent version of the project from its GitHub repository with all changes and bug fixes included.
• Type init() if requested.
• Open the file RPR-ChimeraX_remote.R and follow the instructions.

 

Note: take care that you understand all of the code in the script. Evaluation in this course is cumulative and you may be asked to explain any part of code.

 

 

 

About ...
 
Author:

Boris Steipe <boris.steipe@utoronto.ca>

Created:

2017-08-05

Modified:

2020-09-26

Version:

1.1

Version history:

• 1.1 Maintenance
• 1.0 First live version
• 0.1 First stub

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