INVESTIGADORES
MARTIN Osvaldo Antonio
congresos y reuniones científicas
Título:
CheSweet: first steps into validating and determining glycan structures
Autor/es:
GARAY, PABLO G.; MARTÍN OSVALDO A.; SCHERAGA, HAROLD A.; VILA, JORGE A.
Lugar:
Buenos Aires
Reunión:
Simposio; Primer simposio argentino de glicobilogia, GlycoAR 2014; 2014
Resumen:
Over the last several years we have focused our efforts in developing computational tools, such as the CheShift-2 server, for validation of protein structures, provided that the observed 13 Cα and/or Cβ chemical shifts are available. More than 50% of known protein are predicted to be glycoproteins, although only 3.5% of the proteins deposited in the the Protein Data Bank (PDB) are glycoproteins. There are multiple reasons why the PDB is heavily biased against glycoproteins, among others the following: glycan chains often hamper crystal growth and, hence, they are removed before-hand, carbohydrates are very flexible molecules and therefore often do not yield sufficient electron density to resolve the three-dimensional structure, etc. In addition, around 30% of the PDB-deposited carbohydrates entries contain errors. Overall, the need for accurate and fast validation methods to detect flaws in protein/glycan structures, at residue/disaccharide level, appears to be crucial. Consequently, here we present a summary of the main features of the CheShift-2 server for protein structure validation and also the first steps to expand our methodology to include validation of glycans and glycoproteins.