Nsp10-nsp14 complex

Exoribonuclease (ExoN) domain


Ararobinol 

Code: 7N0B_ARA

Corilagin

Code: 7N0B_COR

Isobavachalcone

Code: 7N0B_IBC


Details

Ararobinol (Gromacs 2018.3, force field: AMBER99bsc1): 

7N0B_ARA-1: Ararobinol bound to the ExoN domain of nsp14 (200 ns, 103598 atoms)

7N0B_ARA-2: Ararobinol bound to the ExoN domain of nsp14 (200 ns, 103598 atoms)

7N0B_ARA-3: Ararobinol bound to the ExoN domain of nsp14 (200 ns, 103598 atoms)


Corilagin (Gromacs 2018.3, force field: AMBER99bsc1): 

7N0B_COR-1: Corilagin bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)

7N0B_COR-2: Corilagin bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)

7N0B_COR-3: Corilagin bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)


Isobavachalcone (Gromacs 2018.3, force field: AMBER99bsc1): 

7N0B_IBC-1: Isobavachalcone bound to the ExoN domain of nsp14 (200 ns, 103611 atoms)

7N0B_IBC-2: Isobavachalcone bound to the ExoN domain of nsp14 (200 ns, 103611 atoms)

7N0B_IBC-3: Isobavachalcone bound to the ExoN domain of nsp14 (200 ns, 103611 atoms)

Naphthofluorescein

Code: 7N0B_NFL


Trisjuglone

Code: 7N0B_TJG


Details

Naphthofluorescein (Gromacs 2018.3, force field: AMBER99bsc1): 

7N0B_NFL-1: Naphthofluorescein bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)

7N0B_NFL-2: Naphthofluorescein bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)

7N0B_NFL-3: Naphthofluorescein bound to the ExoN domain of nsp14 (200 ns, 103583 atoms)


Trisjuglone (Gromacs 2018.3, force field: AMBER99bsc1): 

7N0B_TJG-1: Trisjuglone bound to the ExoN domain of nsp14 (200 ns, 103576 atoms)

7N0B_TJG-2: Trisjuglone bound to the ExoN domain of nsp14 (200 ns, 103576 atoms)

7N0B_TJG-3: Trisjuglone bound to the ExoN domain of nsp14 (200 ns, 103576 atoms)