Author: Serena H. Chen; M. Todd Young; John Gounley; Christopher Stanley; Debsindhu Bhowmik
Title: Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets Document date: 2020_4_18
ID: klb8oe9q_15
Snippet: To generate initial systems for the structural study of human coronavirus S proteins, we built protomer structures from chain A of the cryo-EM S protein structures of SARS-CoV-2 (PDB 6VSB [3] ), SARS-CoV-1 (PDB 6CRZ [15] ), MERS-CoV (PDB 6Q05 [16] ), and HCoV-HKU1 (PDB 5I08 [14] ). The trimeric state of the SARS-CoV-2 S protein consists of all three chains in PDB 6VSB. Each structure was solvated in the center of a water box with a minimum distan.....
Document: To generate initial systems for the structural study of human coronavirus S proteins, we built protomer structures from chain A of the cryo-EM S protein structures of SARS-CoV-2 (PDB 6VSB [3] ), SARS-CoV-1 (PDB 6CRZ [15] ), MERS-CoV (PDB 6Q05 [16] ), and HCoV-HKU1 (PDB 5I08 [14] ). The trimeric state of the SARS-CoV-2 S protein consists of all three chains in PDB 6VSB. Each structure was solvated in the center of a water box with a minimum distance of 15Ã… from the edge of the box to the nearest protein atom, neutralized with counter ions and ionized with 150 mM NaCl. Table 1 summarizes the details of the five molecular systems studied.
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