Crystal structure of GAS2 in complex with compound 10

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

Ligands and binding sites

• 9P8 · (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3, 5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2, 3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol · ligand · chains A
• EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

• 5O9P · Crystal structure of Gas2 in complex with compound 10 · the same entry in another collection · chain A against A, TM-score 1.00
• Q06135 · AlphaFold monomer V2.0 prediction for 1,3-beta-glucanosyltransferase GAS2 (Q06135) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q06135
• Elsewhere: RCSB PDB 5O9P · PDBe 5O9P · UniProt Q06135