Xfel structure of human angiotensin II type 2 receptor (monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'- (2H-tetrazol-5-YL)[1,1'-biphenyl]-4-yl])

Structure

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

Ligands and binding sites

• 8ES · N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide · ligand · 2 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1235 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

• 5UNF · XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with… · 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 A against A, TM-score 0.72
• 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 5UNF · PDBe 5UNF · UniProt P0ABE7 · UniProt P50052