Crystal structure of aspergillus niger GH11 endoxylanase xyna in complex with xylobiose epoxide activity based probe

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 59% strand (DSSP).

Ligands and binding sites

• HZB · (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol · ligand · chains A
• SO4 · Sulfate ion · ion · 8 copies · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

• 6QE8 · Crystal structure of Aspergillus niger GH11 endoxylanase XynA in complex with xylobiose… · the same entry in another collection · chain A against A, TM-score 1.00
• P55329 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase a (P55329) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 P55329
• Elsewhere: RCSB PDB 6QE8 · PDBe 6QE8 · UniProt P55329