title: A proposed structural model of domain 1 of fasciclin III neural cell adhesion protein based on an inverse folding algorithm.
abstract: Fasciclin III is an integral membrane protein expressed on a subset of axons in the developing Drosophila nervous system. It consists of an intracellular domain, a transmembrane region, and an extracellular region composed of three domains, each predicted to form an immunoglobulin-like fold. The most N-terminal of these domains is expected to be important in mediating cell-cell recognition events during nervous system development. To learn more about the structure/function relationships in this cellular recognition molecule, a model structure of this domain was built. A sequence-to-structure alignment algorithm was used to align the protein sequence of the fasciclin III first domain to the immunoglobulin McPC603 structure. Based on this alignment, a model of the domain was built using standard homology modeling techniques. Side-chain conformations were automatically modeled using a rotamer search algorithm and the model was minimized to relax atomic overlaps. The resulting model is compact and has chemical characteristics consistent with related globular protein structures. This model is a de novo test of the sequence-to-structure alignment algorithm and is currently being used as the basis for mutagenesis experiments to discern the parts of the fasciclin III protein that are necessary for homophilic molecular recognition in the developing Drosophila nervous system.
authors.affiliation: Department of Biological Sciences, University at Albany, State University of New York 12222, USA.
authors.forename: L A
authors.initials: LA
authors.lastname: Castonguay
authors.forename: S H
authors.initials: SH
authors.lastname: Bryant
authors.forename: P M
authors.initials: PM
authors.lastname: Snow
authors.forename: J S
authors.initials: JS
authors.lastname: Fetrow
mesh_terms: D000465:Algorithms; D000595:Amino Acid Sequence; D000818:Animals; D015704:CD4 Antigens / Q000737:chemistry; D015816:Cell Adhesion Molecules, Neuronal / Q000737:chemistry*; D003198:Computer Simulation; D004330:Drosophila; D029721:Drosophila Proteins; D007136:Immunoglobulins / Q000737:chemistry; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010446:Peptide Fragments / Q000737:chemistry*; D011487:Protein Conformation; D017510:Protein Folding; D017386:Sequence Homology, Amino Acid
chemical_list: D015704:CD4 Antigens; D015816:Cell Adhesion Molecules, Neuronal; D029721:Drosophila Proteins; C061565:Fas3 protein, Drosophila; D007136:Immunoglobulins; D010446:Peptide Fragments