Domain III

Domain III

a-ketoamide 13b bound to domain III of the main protease

Code: 6LU7_D3_O6K


Ritonavir bound to domain III of the main protease

Code: 6LU7_D3_RITO



SRT1720 bound to domain III of the main protease

Code: 6LU7_D3_S1720



Details

a-ketoamide 13b (Gromacs 2018.2, force field: CHARMM27): 

6LU7_D3_O6K-1: a-ketoamide 13b bound to domain III of the main protease (100 ns, 133799 atoms)

6LU7_D3_O6K-2: a-ketoamide 13b bound to domain III of the main protease (100 ns, 133799 atoms)

6LU7_D3_O6K-3: a-ketoamide 13b bound to domain III of the main protease (100 ns, 133799 atoms)


Ritonavir (Gromacs 2018.2, force field: CHARMM27): 

6LU7_D3_RITO-1: Ritonavir bound to domain III of the main protease (100 ns, 133801 atoms)

6LU7_D3_RITO-2: Ritonavir bound to domain III of the main protease (100 ns, 133801 atoms)

6LU7_D3_RITO-3: Ritonavir bound to domain III of the main protease (100 ns, 133801 atoms)


SRT1720 (Gromacs 2018.2, force field: CHARMM27): 

6LU7_D3_S1720-1: S1720 bound to domain III of the main protease (100 ns, 133785 atoms) 

6LU7_D3_S1720-2: S1720 bound to domain III of the main protease (100 ns, 133785 atoms) 

6LU7_D3_S1720-3: S1720 bound to domain III of the main protease (100 ns, 133785 atoms)