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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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Proteins are chains of amino acids linked together by peptide bonds. Upon synthesis, a protein folds into a three-dimensional conformation, critical to its biological function. Interactions between its constituent amino acids guide protein folding, and hence the protein structure is primarily dependent on its amino acid sequence.
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Protein families are groups of homologous proteins; that is, they have similarities in amino acid sequences and three-dimensional structures. Protein families usually occur because of gene duplication, where an additional copy of a gene is inserted into the genome of an organism.   Mutations that change the amino acids but still allow the protein to be properly synthesized, will lead to new protein family members.   If these new proteins contain similar amino acids in key...
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A Protocol for Computer-Based Protein Structure and Function Prediction
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ZEAL: protein structure alignment based on shape similarity.

Filip Ljung1, Ingemar André1

  • 1Division of Biochemistry and Structural Biology, Department of Chemistry, Lund University, Lund SE-22100, Sweden.

Bioinformatics (Oxford, England)
|March 27, 2021
PubMed
Summary
This summary is machine-generated.

ZEAL is a new tool that superposes protein structures by their surface shape, outperforming other methods. It helps compare divergent proteins and reveals functional relationships, especially for DNA-binding proteins.

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Area of Science:

  • Structural biology
  • Bioinformatics
  • Computational biology

Background:

  • Traditional protein structure superimposition relies on Cartesian coordinates, limiting comparisons of distantly related proteins.
  • Protein function is often dictated by surface shape, making shape-based comparisons crucial for understanding biological relationships.

Purpose of the Study:

  • To introduce ZEAL, an interactive tool for superposing protein structures based on molecular surface shape resemblance.
  • To evaluate ZEAL's performance against existing methods and explore its utility in identifying functional relationships.

Main Methods:

  • Utilized 3D Zernike-Canterakis functions to represent protein molecular surfaces.
  • Developed ZEAL as an interactive tool with online and standalone versions.
  • Benchmarked ZEAL against other shape-based and coordinate-based superimposition methods.

Main Results:

  • ZEAL demonstrated superior performance in shape-based superposition compared to other methods for proteins with similar folds.
  • ZEAL alignments showed comparable quality to TM-align for fold-similar proteins.
  • ZEAL successfully identified substantial surface-shape correspondence for proteins with limited sequence and fold similarity, where coordinate-based methods fail.
  • Identified significant correlations between global surface shape similarity and protein function, particularly for DNA-binding proteins.

Conclusions:

  • ZEAL provides an effective method for comparing protein structures based on surface shape, enabling analysis of divergent proteins.
  • Shape-based superimposition using ZEAL can reveal evolutionary relationships and functional similarities missed by traditional methods.
  • ZEAL is a valuable tool for studying the link between protein surface shape and function, with implications for discovering novel protein relationships.