PDB | 7px4 Adenosine A2A receptor (A2A-PSB1-bRIL)

Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113

label Keywords
gpcr, membrane protein, a2a, g protein-coupled receptor, adenosine receptor, preladenant
event_note Published
11/13/2024
blur_on Resolution
2.25 Å
filter_center_focus Method
X-RAY DIFFRACTION
add_circle Ligands
CHOLESTEROL, Preladenant conjugate PSB-2113, OLEIC ACID, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER

Original publication

import_contacts Title
Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
import_contacts Journal
Angew.Chem.Int.Ed.Engl. 2022
import_contacts DOI
10.1002/anie.202115545
person Authors
Klapschinski, T.A., Schlegel, J.G., Claff, T., Muller, C.E., Vaassen, V.J., Voss, J.H., Labahn, J., Tiruttani Subhramanyam, U.K., Vielmuth, C.

Simulation 7px4_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.

warningLarge file - older computers and mobile devices may struggle.

insert_drive_file
7px4_default_dppc.mpmd.finalframe.atomistic.pdb
4.1 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