Water-refined solution structure of the human Grb7-SH2 domain in complex with the erbB2 receptor peptide pY1139

Protein Pept Lett. 2012 Aug;19(8):832-8. doi: 10.2174/092986612801619543.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Binding Sites
  • Crystallography, X-Ray
  • GRB7 Adaptor Protein / chemistry*
  • Humans
  • Ligands
  • Molecular Dynamics Simulation
  • Nuclear Magnetic Resonance, Biomolecular
  • Protein Binding
  • Protein Conformation*
  • Protein Multimerization
  • Receptor, ErbB-2 / chemistry*
  • Receptors, Peptide / chemistry*
  • Solutions
  • Water / chemistry
  • src Homology Domains*

Substances

  • GRB7 protein, human
  • Ligands
  • Receptors, Peptide
  • Solutions
  • Water
  • GRB7 Adaptor Protein
  • ERBB2 protein, human
  • Receptor, ErbB-2

Associated data

  • PDB/2L4K