Structure of kdnase from aspergillus terrerus in complex with 2,3- difluoro-2-keto-3-deoxynononic acid

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).

Ligands and binding sites

• SNN · L-3-aminosuccinimide · ligand · chains A
• FKD · 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid · ligand · chains A
• K99 · (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid · ligand · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · chains A
• GOL · Glycerol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

• 7P1E · Structure of KDNase from Aspergillus Terrerus in complex with… · 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 Q0CMX0
• Elsewhere: RCSB PDB 7P1E · PDBe 7P1E · UniProt Q0CMX0