Helicase

Nucleoside-triphosphatase (NTPase) site


Adenosine diphosphate bound to the NTPase site of helicase

Code: 6ZSL_ADP

Acetylcysteine bound to the NTPase site of helicase

Code: 6ZSL_NAC

Details

Adenosine diphosphate (Gromacs 2018.4, force field: CHARMM36): 

6ZSL_ADP-1: Adenosine diphosphate bound to the NTPase site of helicase (200 ns, 185352 atoms)

6ZSL_ADP-2: Adenosine diphosphate bound to the NTPase site of helicase (200 ns, 185352 atoms)

6ZSL_ADP-3: Adenosine diphosphate bound to the NTPase site of helicase (200 ns, 185352 atoms)


N-acetylcysteine (Gromacs 2018.4, force field: CHARMM36):

6ZSL_NAC-1: Acetylcysteine bound to the NTPase site of helicase (200 ns, 185352 atoms) 

6ZSL_NAC-2: Acetylcysteine bound to the NTPase site of helicase (200 ns, 185352 atoms) 

6ZSL_NAC-3: Acetylcysteine bound to the NTPase site of helicase (200 ns, 185352 atoms) 

Clavulanic acid bound to the NTPase site of helicase

Code: 6ZSL_CLA

Homovanillic acid bound to the NTPase site of helicase

Code: 6ZSL_HVA

Details

Clavulanic acid (Gromacs 2018.4, force field: CHARMM36): 

6ZSL_CLA-1: Clavulanic acid bound to the NTPase site of helicase (200 ns, 185356 atoms)

6ZSL_CLA-2: Clavulanic acid bound to the NTPase site of helicase (200 ns, 185356 atoms)

6ZSL_CLA-3: Clavulanic acid bound to the NTPase site of helicase (200 ns, 185356 atoms)


Homovanillic acid (Gromacs 2018.4, force field: CHARMM36): 

6ZSL_HVA-1: Homovanillic acid bound to the NTPase site of helicase (200 ns, 185356 atoms) 

6ZSL_HVA-2: Homovanillic acid bound to the NTPase site of helicase (200 ns, 185356 atoms) 

6ZSL_HVA-3: Homovanillic acid bound to the NTPase site of helicase (200 ns, 185356 atoms)