Crystal structure of the zymogen form of the glutamic-class prolyl- endopeptidase neprosin at 2.05 a resolution in presence of the crystallophore lu-XO4.

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 38% strand (DSSP).

Ligands and binding sites

• K93 · 12-oxidanyl-9,11$L^{3}-dioxa-1$L^{4},19$L^{4},22, 27$L^{4},28$L^{4}-pentaza-10$L^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1, 10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28), 11,13,15,17(27)-heptaen-8-one · ligand · 2 copies · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
• FUC · alpha-L-fucopyranose · sugar · 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

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

Modifications

Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

• 7ZU8 · Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin… · 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
• Elsewhere: RCSB PDB 7ZU8 · PDBe 7ZU8