Crystal structure of a cgrp receptor ectodomain heterodimer with bound high affinity inhibitor

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Ligands and binding sites

• 3N6 · N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl) carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide · ligand · chains A
• GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
• PG4 · Tetraethylene glycol · additive · 3 copies · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 6ZIS · Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity… · the same entry in another collection · chain A against A, TM-score 1.00
• Q16602 · AlphaFold monomer V2.0 prediction for calcitonin gene-related peptide type 1 receptor… · a predicted model of the same protein · chain A against A, TM-score 0.23
• O60894 · AlphaFold monomer V2.0 prediction for receptor activity-modifying protein 1 (O60894) · a predicted model of the same protein · chain A against A, TM-score 0.15

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 P0AEX9
• Every structure of UniProt O60894
• Every structure of UniProt Q16602
• Elsewhere: RCSB PDB 6ZIS · PDBe 6ZIS · UniProt P0AEX9 · UniProt O60894 · UniProt Q16602