Helicase

Nucleoside-triphosphatase (NTPase) site

Adenosine diphosphate bound to the NTPase site of helicase

Code: 6ZSL_ADP

Code: 6ZSL_NAC

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)

Code: 6ZSL_CLA

Code: 6ZSL_HVA

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)

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