Simulation report
Technical information
General information
Name: Pth1r e392k - gs
PDB id: 6NBF
Activation state: Active
System setup
Solvent type: Implicit
Membrane type: Implicit
Number of molecules:
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short: 1
Parathyroid hormone/parathyroid hormone-related peptide receptor: 1
Peptide ligand: 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
Total number of atoms: 16552
Simulation details
Software and version: ACEMD, v3.3
Forcefield and version: CHARMM, CHARMM36
Time step : 4.0 fs
Delta : 1.0 ns
Replicates: 3
Accumulated simulation time: 3.0 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Ligands
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short
(1 molecule)
(1 molecule)
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
(Mutations shown in blue at the viewer)
1280
| Residue ID | Residue seq. position | Generic num. | From | To |
|---|---|---|---|---|
| 215 | 61 | - | S | - |
1281
| Residue ID | Residue seq. position | Generic num. | From | To |
|---|
