Simulation report
Technical information
General information
Name: 5ht2b receptor (apoform) (apoform)
PDB id: 6DS0
Activation state: Intermediate
Description: Classical unbiased (NVT ensemble) complex flexibility assay.
Submitted by: GPCRmd community
System setup
Solvent type: TIP3P
Membrane type: Homogeneous
Membrane composition: POPC
Ionic composition: Sodium ion (158 mM), Chloride (185 mM)
Number of molecules:
Water: 14100
POPC: 160
Chloride: 47
Sodium ion: 40
5-hydroxytryptamine receptor 2B: 1
Total number of atoms: 68684
Simulation details
Software and version: ACEMD3, GPUGRID
Forcefield and version: CHARMM, c36 Jul 2020
Time step : 4.0 fs
Delta : 0.2 ns
Replicates: 3
Accumulated simulation time: 1.5 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Receptor
Mutations
Table of simulated mutations
(Mutations shown in blue at the viewer)
| Residue ID | Residue seq. position | Generic num. | From | To |
|---|---|---|---|---|
| 218 | 170 | 4x40 | T | - |
