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Related Concept Videos

Protein Organization01:24

Protein Organization

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Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
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Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
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A Protocol for Computer-Based Protein Structure and Function Prediction
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A Protocol for Computer-Based Protein Structure and Function Prediction

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Comparative Protein Structure Modeling Using MODELLER.

Benjamin Webb1, Andrej Sali

  • 1University of California at San Francisco, San Francisco, California.

Current Protocols in Bioinformatics
|September 10, 2014
PubMed
Summary
This summary is machine-generated.

Comparative modeling predicts protein 3-D structures using known related proteins. This guide details using MODELLER software for accurate protein structure prediction, including common errors and applications.

Keywords:
Modellercomparative modelingprotein foldprotein structurestructure prediction

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Area of Science:

  • Structural biology
  • Bioinformatics
  • Computational biology

Background:

  • Protein structure determination is crucial for functional characterization.
  • Experimental structures are not always available.
  • Homology modeling offers a computational alternative for predicting protein 3-D structures.

Purpose of the Study:

  • To describe the process of comparative protein modeling.
  • To provide a guide for using the MODELLER software.
  • To illustrate modeling with a specific example, Trichomonas vaginalis lactate dehydrogenase (TvLDH).

Main Methods:

  • Comparative modeling based on sequence alignment to known structures (templates).
  • Key steps include fold assignment, target-template alignment, model building, and evaluation.
  • Utilizing the MODELLER software for model calculation.

Main Results:

  • Demonstration of comparative modeling workflow.
  • Discussion of potential errors and troubleshooting in the modeling process.
  • Successful application of MODELLER for TvLDH structure prediction.

Conclusions:

  • Comparative modeling with MODELLER is a viable approach for predicting protein structures.
  • Understanding the steps and potential pitfalls enhances model accuracy.
  • The described methods and software facilitate functional characterization of proteins lacking experimental structures.