O'Neil K T, DeGrado W F
Proc Natl Acad Sci U S A. 1985 Aug;82(15):4954-8. doi: 10.1073/pnas.82.15.4954.
By using interactive computer graphics, two models for calmodulin have been constructed based on the structures of two functionally and structurally related proteins, intestinal calcium-binding protein and carp parvalbumin. The two models have been compared and contrasted to the parent proteins with respect to proportion of solvent-exposed hydrophobic residues, solvent-accessible surface area, and side-chain packing. Electrostatic potential surfaces generated for the models suggest a probable binding site for basic amphiphilic alpha-helical peptides located between the last E and F helices in the second domain of calmodulin. Both electrostatic and hydrophobic complementarity can contribute to stabilization of a peptide-protein complex in this region.
通过使用交互式计算机图形技术,基于两种功能和结构相关的蛋白质——肠钙结合蛋白和鲤鱼小清蛋白的结构,构建了两种钙调蛋白模型。就溶剂暴露的疏水残基比例、溶剂可及表面积和侧链堆积而言,已将这两种模型与亲本蛋白进行了比较和对比。为这些模型生成的静电势表面表明,在钙调蛋白第二个结构域的最后一个E螺旋和F螺旋之间,可能存在一个碱性两亲性α螺旋肽的结合位点。静电互补和疏水互补都有助于该区域肽 - 蛋白质复合物的稳定。