X-ray structure of human chymase in complex with small molecule inhibitor.

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 38% strand (DSSP).

Ligands and binding sites

• UNL · Unknown ligand · ligand · 2 copies · chains A
• N7O · (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

• 3N7O · X-ray structure of human chymase in complex with small molecule inhibitor. · the same entry in another collection · chain A against A, TM-score 1.00
• P23946 · AlphaFold monomer V2.0 prediction for chymase (P23946) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P23946
• Elsewhere: RCSB PDB 3N7O · PDBe 3N7O · UniProt P23946