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

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

Volume: 19 Issue: 8

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

Affiliation:

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)

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.

Cite this article as:

C. Pias Sally, L. Johnson Dennis, E. Smith David and A. Lyons Barbara, Water-Refined Solution Structure of the Human Grb7-SH2 Domain in Complex with the erbB2 Receptor Peptide pY1139, Protein & Peptide Letters 2012; 19 (8) . https://dx.doi.org/10.2174/092986612801619543