Crystal structure of barley exohydrolasei wildtype in complex with 4'- nitrophenyl thiolaminaribioside

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 12% strand (DSSP).

Ligands and binding sites

• BV6 · (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
• SO4 · Sulfate ion · ion · 4 copies · chains A
• 1PE · Pentaethylene glycol · additive · 4 copies · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

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

Modifications

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

Compared structures

• 6JG2 · Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl… · the same entry in another collection · 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 A0A287SCR5
• Elsewhere: RCSB PDB 6JG2 · PDBe 6JG2 · UniProt A0A287SCR5