Structure of SAR7334-bound TRPC6 at 2.9 ångström

Structure

electron microscopy · 1 distinct chain · 71% helix, 1% strand (DSSP).

Ligands and binding sites

• Y01 · Cholesterol hemisuccinate · ligand · 16 copies · chains A, D, C, B
• HOR · 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile · ligand · 4 copies · chains A, B, C, D
• POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 4 copies · chains A, C, D, B
• 98R · [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate · ligand · 4 copies · chains A, D, C, B
• CA · Calcium ion · metal · 8 copies · chains A, D, B, C
• ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• A–C · 4113 Ų buried · 39 hydrogen bonds · protein-protein
• A–D · 4110 Ų buried · 39 hydrogen bonds · protein-protein
• B–C · 4103 Ų buried · 39 hydrogen bonds · protein-protein
• B–D · 4103 Ų buried · 39 hydrogen bonds · protein-protein
• A–B · 103 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 7DXG · Structure of SAR7334-bound TRPC6 at 2.9 angstrom · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y210 · AlphaFold monomer V2.0 prediction for short transient receptor potential channel 6… · a predicted model of the same protein · chain A against A, TM-score 0.91

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9Y210
• Elsewhere: RCSB PDB 7DXG · PDBe 7DXG · UniProt Q9Y210