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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 Sali1

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

Current Protocols in Protein Science
|November 2, 2016
PubMed
Summary
This summary is machine-generated.

This study explains comparative protein structure modeling, a method to predict protein 3D structures using known structures. It details using MODELLER software and the ModBase database for accurate modeling.

Keywords:
MODELLERModBasecomparative modelingprotein foldprotein structurestructure prediction

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Area of Science:

  • Structural bioinformatics
  • Computational biology
  • Protein modeling

Background:

  • Comparative protein structure modeling leverages known protein structures (templates) to predict the 3D structure of a target protein sequence.
  • The process involves key steps: fold assignment, target-template alignment, model building, and model evaluation.

Purpose of the Study:

  • To describe the calculation of comparative protein models using MODELLER software.
  • To explain the utilization of the ModBase database for accessing these models.
  • To discuss the four core steps of comparative modeling, common errors, and practical applications.

Main Methods:

  • Utilizing the MODELLER software package for comparative protein structure modeling.
  • Employing the ModBase database for retrieving and analyzing protein models.
  • Detailed explanation of fold assignment, target-template alignment, model building, and model evaluation.

Main Results:

  • Successful application of MODELLER for comparative modeling, exemplified by lactate dehydrogenase from Trichomonas vaginalis (TvLDH).
  • Guidance provided on downloading and installing the MODELLER software.
  • Comprehensive discussion of the comparative modeling workflow and potential pitfalls.

Conclusions:

  • Comparative modeling with MODELLER and ModBase provides a robust approach for predicting protein structures.
  • Understanding the steps and potential errors is crucial for generating reliable protein models.
  • The described methods and tools have broad applications in structural biology and drug discovery.