ISSN:
1573-4943
Keywords:
Ribosome-inactivating proteins
;
luffin-α
;
3D structure
;
neural network
;
substrate interaction
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A fundamental problem in biochemistry and molecular biology is understanding the spatial structure of macromolecules and then analyzing their functions. In this study, the three-dimensional structure of a ribosome-inactivating protein luffin-α was predicted using a neural network method and molecular dynamics simulation. A feedforward neural network with the backpropagation learning algorithm were trained on model class of homologous proteins including trichosanthin andα-momorcharin. The distance constraints for the Cα atoms in the protein backbone were utilized to generate a folded crude conformation of luffin-α by model building and the steepest descent minimization approach. The crude conformation was refined by molecular dynamics techniques and a simulated annealing procedure. The interaction between luffin-α and its analogous substrate GAGA was also simulated to understand its action mechanism.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01886747
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