Crystal structure of barley exohydrolasei W434F in complex with 4'- nitrophenyl thiolaminaribioside

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 12% strand (DSSP).

Ligands and binding sites

• 6BV · (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3, 4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol · ligand · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A
• 1PE · Pentaethylene glycol · additive · 11 copies · chains A
• GOL · Glycerol · additive · 4 copies · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A
• ACT · Acetate ion · additive · 2 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 6LC5 · Crystal structure of barley exohydrolaseI W434F 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 Q9XEI3
• Elsewhere: RCSB PDB 6LC5 · PDBe 6LC5 · UniProt Q9XEI3