Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 3% strand (DSSP).

Ligands and binding sites

• OLA · Oleic acid · ligand · 4 copies · chains A, B
• VFD · Olodanrigan · ligand · 2 copies · chains A, B
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
• FMT · Formic acid · additive · chains A
• HEZ · Hexane-1,6-diol · additive · chains A

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1476 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified, 3 disulfide (alkylation, disulfide).

Compared structures

• 7JNI · Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 · the same entry in another collection · chain A against A, TM-score 1.00
• P50052 · AlphaFold monomer V2.0 prediction for type-2 angiotensin II receptor (P50052) · a predicted model of the same protein · chain B against A, TM-score 0.71
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.26

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 P0ABE7
• Every structure of UniProt P50052
• Elsewhere: RCSB PDB 7JNI · PDBe 7JNI · UniProt P0ABE7 · UniProt P50052