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

[ Vol. 19 , Issue. 8 ]

Author(s):

Sally C. Pias, Dennis L. Johnson, David E. Smith and Barbara A. Lyons   Pages 832 - 838 ( 7 )

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)

Affiliation:

Department of Chemistry and Biochemistry, MSC 3C, P.O. Box 30001, New Mexico State University, Las Cruces, NM 88003-8001.



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