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Protein & Peptide Letters

Editor-in-Chief

ISSN (Print): 0929-8665
ISSN (Online): 1875-5305

Water-Refined Solution Structure of the Human Grb7-SH2 Domain in Complex with the erbB2 Receptor Peptide pY1139

Author(s): Sally C. Pias, Dennis L. Johnson, David E. Smith and Barbara A. Lyons

Volume 19, Issue 8, 2012

Page: [832 - 838] Pages: 7

DOI: 10.2174/092986612801619543

Price: $65

Abstract

We report a refinement in implicit water of the previously published solution structure of the Grb7-SH2 domain bound to the erbB2 receptor peptide pY1139. Structure quality measures indicate substantial improvement, with residues in the most favored regions of the Ramachandran plot increasing by 14 % and with WHAT IF statistics (Vriend, G. J. Mol. Graph., 1990, 8(1), 52-56) falling closer to expected values for well-refined structures.

Keywords: Molecular dynamics simulations, NMR refinement, SH2 domain, water refinement, Grb7 protein, signaling pathways, breast cancer, tumor tissues, ligand-bound Grb7-SH2 domain, focal adhesion kinase (FAK)


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