Structure of GRP94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H- imidazol-2-YL)ETHYL)-4,6-dihydroxybenzoate, a GRP94-selective inhibitor and promising therapeutic lead for treating myocilin- associated glaucoma

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• V2C · methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate · ligand · 2 copies · chains A, B
• P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · 17 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains A, B

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

Compared structures

• 6ASP · Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1… · the same entry in another collection · chain A against A, TM-score 1.00
• P41148 · AlphaFold monomer V2.0 prediction for endoplasmin (P41148) · a predicted model of the same protein · chain A against A, TM-score 0.86

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 P41148
• Elsewhere: RCSB PDB 6ASP · PDBe 6ASP · UniProt P41148