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Homology modelling and molecular dynamics studies of human placental tissue protein 13 (galectin-13)
Authors:Visegrady, Balazs   Than, Nandor G.   Kilar, Ferenc   Sumegi, Balazs   Than, Gabor N.   Bohn, Hans
Affiliation:1 Central Research Laboratory, 2 Department of Biochemistry and 3 Department of Obstetrics and Gynaecology, Medical School, University of Pécs, H-7624 Pécs, Hungary and 5 Behringwerke AG, Postfach 1140,D-35041 Marburg/Lahn, Germany
Abstract:The primary structure of the newly sequence analysed placentaltissue protein 13 (PP13) was highly homologous to several membersof the ß-galactoside-binding S-type lectin (galectin)family. By homology modelling, the three-dimensional structureof PP13 was built based on high-resolution crystal structuresof homologues and also their characteristic `jellyroll' foldwas found in the case of PP13. Our model has been depositedin the Brookhaven Protein Data Bank. By multiple sequence alignmentand structure-based secondary structure prediction, we underlinedthe structural similarity of PP13 with its homologues. The secondarystructure of PP13 was identical with `proto-type' galectinsconsisting of a five- and a six-stranded ß-sheet,joined by two
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