Human fxia in complex with small molecule inhibitors.

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).

Ligands and binding sites

• E6U · N-[(1S)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide · ligand · chains A
• SO4 · Sulfate ion · ion · 5 copies · chains A
• GOL · Glycerol · additive · 6 copies · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 4D7G · Human FXIa in complex with small molecule inhibitors. · the same entry in another collection · chain A against A, TM-score 1.00
• P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P03951
• Elsewhere: RCSB PDB 4D7G · PDBe 4D7G · UniProt P03951