Factor xa in complex with the inhibitor 1-(3-amino-1,2- benzisoxazol-5-yl)-6-(2'-(((3R)-3-hydroxy-1-pyrrolidinyl) methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6- tetrahydro-7H-PYRAZOLO[3,4-C]PYRIDIN-7-one

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 34% strand (DSSP).

Ligands and binding sites

• 5QC · 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one · ligand · 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–L · 902 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• 2FZZ · Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-h… · the same entry in another collection · chain A against A, TM-score 1.00
• P00742 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00742) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P00742
• Elsewhere: RCSB PDB 2FZZ · PDBe 2FZZ · UniProt P00742