Simulation report
Technical information
General information
Name: Wildtype trimeric gnao with g-beta and g-gamma
PDB id: 6CRK
Description: -
Submitted by: Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
System setup
Solvent type: TIP3P
Membrane type: Implicit
Number of molecules:
CID 21604868: 1
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2: 1
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1: 1
Guanine nucleotide-binding protein G(o) subunit alpha: 1
Total number of atoms: 124965
Simulation details
Software and version: GROMACS, 2021.3
Forcefield and version: CHARMM, CHARMM36m
Time step : 2.0 fs
Delta : 2.0 ns
Replicates: 1
Accumulated simulation time: 3.334 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Ligands
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
(1 molecule)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
(1 molecule)
Receptor
Mutations
Table of simulated mutations
1182
| Residue ID | Residue seq. position | Generic num. | From | To |
|---|
