Summary
The 3D structural data of glycoprotein or protein-carbohydrate complexes that are found in the Protein Data Bank (PDB) are an interesting data source for glycobiologists. Unfortunately, carbohydrate components are difficult to find with the means provided by the PDB. The GLYCOSCIENCES.de internet portal offers a variety of tools and databases to locate and analyze these structures. This chapter describes how to find PDB entries that feature a specific carbohydrate structure and how to locate carbohydrate residues in a 3D structure file and to check their consistency. In addition to this, methods to statistically analyze torsion angles and the abundance of amino acids both in the neighborhood of glycosylation sites and in the spatial vicinity of non-covalently bound carbohydrate chains are summarized.
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References
Berman, H.M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T.N., Weissig, H., Shindyalov, I.N., and Bourne, P.E. (2000) The Protein Data Bank. Nucleic Acids Res. 28, 235–242
Petrescu, A.J., Petrescu, S.M., Dwek, R.A., and Wormald, M.R. (1999) A statistical analysis of N- and O-glycan linkage conformations from crystallographic data. Glycobiology 9, 343–352
Lütteke, T., Bohne-Lang, A., Loss, A., Goetz, T., Frank, M., and von der Lieth, C.W. (2006) GLYCOSCIENCES.de: an Internet portal to support glycomics and glycobiology research. Glycobiology 16, 71R–81R
Apweiler, R., Hermjakob, H., and Sharon, N. (1999) On the frequency of protein glycosylation, as deduced from analysis of the SWISS-PROT database. Biochim. Biophys. Acta 1473, 4–8
Imberty, A. and Pérez, S. (1995) Stereochemistry of the N-glycosylation sites in glycoproteins. Protein Eng. 8, 699–709
Lütteke, T. and von der Lieth, C.W. (2006) The protein data bank (PDB) as a versatile resource for glycobiology and glycomics. Biocatal Biotransformation 24, 147–155
Boeckmann, B., Bairoch, A., Apweiler, R., Blatter, M.C., Estreicher, A., Gasteiger, E., Martin, M.J., Michoud, K., O’Donovan, C., Phan, I., Pilbout, S., and Schneider, M. (2003) The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003. Nucleic Acids Res. 31, 365–370
Doubet, S., Bock, K., Smith, D., Darvill, A., and Albersheim, P. (1989) The complex carbohydrate structure database. Trends Biochem. Sci. 14, 475–477
Lütteke, T., Frank, M., and von der Lieth, C.W. (2004) Data mining the protein data bank: automatic detection and assignment of carbohydrate structures. Carbohydr. Res. 339, 1015–1020
Bohne, A., Lang, E., and von der Lieth, C.W. (1999) SWEET – WWW-based rapid 3D construction of oligo- and polysaccharides. Bioinformatics 15, 767–768
Bohne-Lang, A., Lang, E., Forster, T., and von der Lieth, C.W. (2001) LINUCS: linear notation for unique description of carbohydrate sequences. Carbohydr. Res. 336, 1–11
Lütteke, T. and von der Lieth, C.W. (2004) pdb-care (PDB CArbohydrate REsidue check): a program to support annotation of complex carbohydrate structures in PDB files. BMC Bioinformatics 5, 69
Lütteke, T., Frank, M., and von der Lieth, C.W. (2005) Carbohydrate Structure Suite (CSS): analysis of carbohydrate 3D structures derived from the Protein Data Bank. Nucleic Acids Res. 33, D242–D246
Ramachandran, G.N., Ramakrishnan, C., and Sasisekharan, V. (1963) Stereochemistry of polypeptide chain configurations. J. Mol. Biol. 7, 95–99
Hooft, R.W., Sander, C., and Vriend, G. (1997) Objectively judging the quality of a protein structure from a Ramachandran plot. Comput. Appl. Biosci. 13, 425–430
Wormald, M.R., Petrescu, A.J., Pao, Y.L., Glithero, A., Elliott, T., and Dwek, R.A. (2002) Conformational studies of oligosaccharides and glycopeptides: complementarity of NMR, X-ray crystallography, and molecular modeling. Chem. Rev. 102, 371–386
Julenius, K., Molgaard, A., Gupta, R., and Brunak, S. (2005) Prediction, conservation analysis and structural characterization of mammalian mucin-type O-glycosylation sites. Glycobiology 15, 153–164
Marshall, R. (1972) Glycoproteins. Annu. Rev. Biochem. 41, 673–702
Ben-Dor, S., Esterman, N., Rubin, E., and Sharon, N. (2004) Biases and complex patterns in the residues flanking protein N-glycosylation sites. Glycobiology 14, 95–101
Petrescu, A.J., Milac, A.L., Petrescu, S.M., Dwek, R.A., and Wormald, M.R. (2004) Statistical analysis of the protein environment of N-glycosylation sites: implications for occupancy, structure and folding. Glycobiology 14, 103–114
Gavel, Y. and von Heijne, G. (1990) Sequence differences between glycosylated and non-glycosylated Asn-X-Thr/Ser acceptor sites: implications for protein engineering. Protein Eng. 3, 433–442
Acknowledgment
The authors thank Dr Robin Thomson, Institute for Glycomics, Griffith University, Australia for carefully reading the manuscript, testing the applications and many useful suggestions to improve its readability. The development of GLYCOSCIENCES.de at the German Cancer Research Center was supported by a Research Grant of the German Research Foundation (DFG BIB 46 HDdkz 01-01) within the digital library program.
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Lütteke, T., von der Lieth, C.W. (2009). Data Mining the PDB for Glyco-Related Data. In: Packer, N.H., Karlsson, N.G. (eds) Glycomics. Methods in Molecular Biology™, vol 534. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-59745-022-5_21
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DOI: https://doi.org/10.1007/978-1-59745-022-5_21
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