Water-refined solution structure of the human Grb7-SH2 domain in complex with the erbB2 receptor peptide pY1139.
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.
Department of Chemistry and Biochemistry, New Mexico State University, Las Cruces, New Mexico 88003-8001, USA.
Sally C
SC
Pias
Dennis L
DL
Johnson
David E
DE
Smith
Barbara A
BA
Lyons
D001665:Binding Sites; D018360:Crystallography, X-Ray; D051382:GRB7 Adaptor Protein / Q000737:chemistry*; D006801:Humans; D008024:Ligands; D056004:Molecular Dynamics Simulation; D019906:Nuclear Magnetic Resonance, Biomolecular; D011485:Protein Binding; D011487:Protein Conformation; D055503:Protein Multimerization; D018719:Erb-b2 Receptor Tyrosine Kinases / Q000737:chemistry*; D018000:Receptors, Peptide / Q000737:chemistry*; D012996:Solutions; D014867:Water / Q000737:chemistry; D018909:src Homology Domains
D051382:GRB7 Adaptor Protein; D008024:Ligands; D018719:Erb-b2 Receptor Tyrosine Kinases; D018000:Receptors, Peptide; D012996:Solutions; D014867:Water; C495955:GRB7 protein, human; C508053:ERBB2 protein, human