Crystal structure of cleaved kallistatin complexed with heparin at 1.8 ångström resolution

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 35% strand (DSSP).

Ligands and binding sites

• Z9L · methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside · ligand · chains A
• Z9K · 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid · ligand · chains A
• NA · Sodium ion · metal · chains A
• CL · Chloride ion · ion · 2 copies · chains A, G
• EDO · 1,2-ethanediol · additive · 4 copies · chains A, G
• GOL · Glycerol · 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–G · 2466 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

• 6F4V · Crystal structure of cleaved Kallistatin complexed with heparin at 1.8 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
• P29622 · AlphaFold monomer V2.0 prediction for kallistatin (P29622) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P29622
• Elsewhere: RCSB PDB 6F4V · PDBe 6F4V · UniProt P29622