CADD course learning (4) -- obtaining proteins without crystal structure (Swiss model)

CADD Course study （4）-- Get proteins without crystal structure (SWISS-Model)

SWISS-Model

Homologous modeling principle

Homology modeling is a technique for predicting the three-dimensional structure of proteins , The basic assumption is that sequence homology determines the homology of three-dimensional structure . An unknown egg quality molecule （ Self labeling protein ） The structure of a protein can be expressed by a protein that is homologous to its sequence and whose structure is known （ Template protein ） To predict .

The main purpose of homology modeling is to predict the structure from its sequence , Its accuracy is similar to the experimental results , A feasible cost-effective alternative method is provided to generate the model .
As the number of experimentally determined structures increases , The role and reliability of homologous model construction will continue to increase .
Homology modeling is the study of ligand receptor interactions 、 enzyme - Substrate interactions 、 Mutagenic experiment 、 Guide optimization 、 A powerful tool for ring structure prediction and hit recognition .

Homologous modeling principle

Basic steps of homologous modeling

1. Determination of template ;
2. Single sequence or multiple sequence alignment ;
3. Based on the template 3D Construction of target model of structure ;
4. Model optimization ;、
5. Model validation .