PDB | 7jpw Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution

Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution

label Keywords
rcav1.1, channels, calcium ion-selective, transport protein, drugs
event_note Published
10/23/2024
filter_center_focus Method
ELECTRON MICROSCOPY
add_circle Ligands
CALCIUM ION, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Original publication

import_contacts Title
Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
import_contacts Journal
Angew.Chem.Int.Ed.Engl. 2021
import_contacts DOI
10.1002/anie.202011793
person Authors
Gao, S., Yan, N.

Simulation 7jpw_default_dppc

Images

The following pre-rendered images show: distortions of the lipid bilayer, averaged across the entire simulation; positions of lipids in a representative snapshot of the simulation and contacts between lipids or solvent and the protein in either cartoon or surface representation. Rendering is performed using VMD's Tachyon renderer.

Distortions

Distortions show the average surface formed by lipid phosphate beads over the final 800 ns of simulation time. Red indicates a thinning of the bilayer (compared to bulk thickness), whilst blue indicates thickening.

Lipids

Coarse-grained lipids are shown with glycerol beads in yellow, phosphate beads in red and choline beads in blue. Atomistic lipids are coloured according to the CPK standard.

Contacts

Contacts show the average occupancy of the selected group within 6 Å of the protein over the final 800 ns of simulation time. Use the buttons below to select a representation.

View molecule in 3D

View an atomistic snapshot from this simulation. You will not need to install any additional software or plugins.

check Your browser is ready to display 3D content using WebGL.

checkA structure is available through the MemProtMD API.

errorThis is an extremely large file - loading it may temporarily cause serious performance issues.

insert_drive_file
7jpw_default_dppc.mpmd.finalframe.atomistic.pdb
10 MB, PDB Format

autorenewLoading structure

Show protein as:

Colour protein by:

Show lipids as:

Colour lipids by:

Polypeptide chains

Select a chain to view more detailed analysis. The cards below show a vertical violin plot for each chain, with shapes representing the normalised density of all residues (white), alpha helical residues (blue) and beta sheet residues (green) along the bilayer normal.

Chain A
Chain E
Chain F