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Int. J. Mol. Sci. 2004, 5(3), 84-92; doi:10.3390/i5030084

NMR-based Structural Studies of the Glycosylated MUC1 Tandem Repeat Peptide

, , , ,  and *
Received: 1 May 2003; Accepted: 18 November 2003 / Published: 20 February 2004
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Abstract: MUC1 is a glycoprotein that plays an important role in cancer pathogenesis. In order to study the effect of glycosylation on the conformational propensities of the tandem repeat domain of MUC1, we have determined the structure of the MUC1 tandem repeat peptide AHGVTSAPDTRPAPGSTAPP, O-glycosylated with the trisaccharide (α-Glc-1,4-β-Glc-1,4-α-GalNAc-) at Thr5. This glycopeptide was synthesized to model a heavily Oglycosylated threonine residue in the tandem repeat domain. The NMR experiments used in this study included TOCSY, NOESY, ROESY, DQF-COSY, HSQC and 1D NMR. The peak volumes determined using the program SPARKY were converted into distance constraints using the program CALIBA. The programs FiSiNOE and HABAS were used to generate angle constraints. Using conformational restraints obtained from NMR, the program DYANA was used to determine the structures of the peptide. Finally, structural refinement was performed within the SYBYL software package using GLYCAM parameters and Kollman-all atom types. The presence of strong sequential αN connectivities suggested an extended conformation of the peptide backbone. Strong sequential αδ connectivities were indicative of a trans conformation of the Ala-Pro peptide bonds. In addition, presence of sequential NN connectivities in the peptide segments Gly3-Val4-Thr5-Ser6, Asp9-Thr10-Arg11 and Gly-Ser16 were indicative of twist-like conformations of the peptide backbone in these peptide segments.
Keywords: MUC1; glycopeptide; trisaccharide; NMR MUC1; glycopeptide; trisaccharide; NMR
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Suryanarayanan, G.; Keifer, P.A.; Wang, G.; Kinarsky, L.; Hollingsworth, M.A.; Sherman, S. NMR-based Structural Studies of the Glycosylated MUC1 Tandem Repeat Peptide. Int. J. Mol. Sci. 2004, 5, 84-92.

AMA Style

Suryanarayanan G, Keifer PA, Wang G, Kinarsky L, Hollingsworth MA, Sherman S. NMR-based Structural Studies of the Glycosylated MUC1 Tandem Repeat Peptide. International Journal of Molecular Sciences. 2004; 5(3):84-92.

Chicago/Turabian Style

Suryanarayanan, G.; Keifer, P. A.; Wang, G.; Kinarsky, L.; Hollingsworth, M. A.; Sherman, S. 2004. "NMR-based Structural Studies of the Glycosylated MUC1 Tandem Repeat Peptide." Int. J. Mol. Sci. 5, no. 3: 84-92.

Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert