Crystal structure of human factor xa complexed with 3- chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl) AMINO]CARBONYL}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol- 2-YL)METHYL]THIOPHENE-2-carboxamide {pfizer 320663}

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 35% strand (DSSP).

Ligands and binding sites

• 663 · 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide · ligand · chains B
• CA · Calcium ion · metal · 2 copies · chains B

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–B · 939 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

• 2P3U · Crystal structure of human factor XA complexed with… · 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 B 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 2P3U · PDBe 2P3U · UniProt P00742