Factor xa in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol- 5'-yl)-N-(4-(2'-((DIMETHYLAMINO)METHYL)-1H-imidazol-1-yl)-2- fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (razaxaban; DPC906; bms-561389)

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 36% strand (DSSP).

Ligands and binding sites

• IK8 · 1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1H-pyrazole-5-carboxamide · ligand · 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–L · 913 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 1Z6E · Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dim… · 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 1Z6E · PDBe 1Z6E · UniProt P00742