Selected article for: "high similarity and homology modeling"
Author: Kaifu Gao; Duc Duy Nguyen; Rui Wang; Guo-Wei Wei
Title: Machine intelligence design of 2019-nCoV drugs
  • Document date: 2020_2_4
    • ID: 1qniriu0_20
    Snippet: The 2019-nCoV protease (PDB ID 6lu7) and SARS-CoV 3CL protease (PDB ID: 2gx4) have an excellent similarity. As shown in Fig. 2 , two crystal structures are essentially identical to each other. Particularly, the RMSD of two crystal structures at the binding site is 0.53 Ã…. When we try to carry a homology modeling of 2019-nCoV protease structure from its sequence using SARS-CoV 3CL protease (PDB ID: 2gx4) as a model, the resulting 2019-nCoV protea.....
    Document: The 2019-nCoV protease (PDB ID 6lu7) and SARS-CoV 3CL protease (PDB ID: 2gx4) have an excellent similarity. As shown in Fig. 2 , two crystal structures are essentially identical to each other. Particularly, the RMSD of two crystal structures at the binding site is 0.53 Ã…. When we try to carry a homology modeling of 2019-nCoV protease structure from its sequence using SARS-CoV 3CL protease (PDB ID: 2gx4) as a model, the resulting 2019-nCoV protease homology structure has an RMSD of 0.9 Ã… (or 0.2 Ã… at the binding site region) with its crystal structure 6lu7. The high structural similarity between the two proteases suggests that anti-SARS-CoV chemicals can be equally effective for the treatment of 2019-nCoV.

    Search related documents:
    Co phrase search for related documents
    • anti SARS cov and crystal structure: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15
    • anti SARS cov and homology modeling: 1, 2
    • anti SARS cov and protease homology: 1, 2, 3
    • anti SARS cov and protease homology structure: 1
    • anti SARS cov and protease structural similarity: 1
    • anti SARS cov and protease structure: 1, 2, 3, 4, 5, 6
    • anti SARS cov and protease structure homology modeling: 1
    • anti SARS cov and SARS cov: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
    • anti SARS cov and structural similarity: 1, 2, 3, 4, 5
    • anti SARS cov chemical and SARS cov: 1, 2, 3, 4, 5, 6, 7
    • anti SARS cov chemical and structural similarity: 1
    • bind site and crystal structure: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10
    • bind site and protease homology: 1
    • bind site and protease structural similarity: 1, 2
    • bind site and protease structure: 1, 2
    • bind site and SARS cov: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
    • bind site and structural similarity: 1, 2, 3
    • bind site region and crystal structure: 1
    • crystal structure and structural similarity: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10