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A CD2-based model of yeast alpha-agglutinin elucidates solution properties and binding characteristics

IUBMB Life. 2000 Aug;50(2):105-13. doi: 10.1080/713803692.

Abstract

We have previously shown that the Saccharomyces cerevisiae cell adhesion protein alpha-agglutinin has sequence characteristics of immunoglobulin-like proteins and have successfully modeled residues 200-325, based on the structure of immunoglobulin variable-type domains. Alignments matching residues 20-200 of alpha-agglutinin with domains I and II of members of the CD2/CD4 subfamily of the immunoglobulin superfamily showed > 80% conservation of key residues despite low sequence similarity overall. Three-dimensional models of two alpha-agglutinin domains constructed on the basis of these alignments were shown to conform to peptide mapping data and biophysical properties of alpha-agglutinin. In addition, the residue volume and surface accessibility characteristics of these models resembled those of the well-packed structures of related proteins. Residue-by-residue analysis showed that packing and accessibility anomalies were largely confined to glycosylated and protease-susceptible loop regions of the domains. Surface accessibility of hydrophobic residues was typical of proteins with extensive domain interactions, a finding compatible with the hydrodynamic properties of alpha -agglutinin and the hydrophobic nature of binding to its peptide ligand alpha-agglutinin. The procedures used to align the alpha-agglutinin sequence and test the quality of the model may be applicable to other proteins, especially those that resist crystallization because of extensive glycosylation.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Algorithms
  • Amino Acid Sequence
  • Amino Acids / chemistry
  • CD2 Antigens / chemistry*
  • CD2 Antigens / metabolism*
  • CD4 Antigens / chemistry
  • Cell Adhesion
  • Disulfides
  • Glycosylation
  • Humans
  • Immunoglobulins / chemistry
  • Ligands
  • Mating Factor
  • Models, Biological
  • Models, Molecular
  • Molecular Sequence Data
  • Peptides / chemistry*
  • Peptides / metabolism*
  • Protein Binding
  • Protein Structure, Tertiary
  • Saccharomyces cerevisiae / chemistry*
  • Saccharomyces cerevisiae / metabolism
  • Sequence Homology, Amino Acid
  • Software

Substances

  • Amino Acids
  • CD2 Antigens
  • CD4 Antigens
  • Disulfides
  • Immunoglobulins
  • Ligands
  • Peptides
  • Mating Factor