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Three-dimensional structure of protein C inhibitor predicted from structure of alpha 1-antitrypsin with computer
K Toma1, S Yamamoto, Y Deyashiki
1Computer Science Department, Asahi Chemical Industry, Shizuoka, Japan.
Abstract:
The three-dimensional structure of a proteolytically modified protein C inhibitor, a member of the serine protease inhibitor superfamily, was constructed with computer graphics based on its amino acid sequence homology with that of the modified alpha 1-antitrypsin whose structure had been elucidated by X-ray crystallography. The intact form of protein C inhibitor was predicted with an alpha-carbon model based on its hydrophilicity and hydrogen bond pattern. Furthermore, a model of its interaction with activated protein C was constructed based on the structure of the complex between trypsin and its inhibitor, which had been determined by X-ray crystallography.