Factor xia in complex with the inhibitor methyl [(4R,5E,8S)-8-({(2E)- 3-[5-chloro-2-(1H-tetrazol-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-4-methyl- 2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10- benzodiazacyclotetradecin-15-YL]CARBAMATE

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• 9FA · Methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4, 7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate · ligand · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 12 copies · chains A

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

Compared structures

• 5Q0F · FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl… · 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 5Q0F · PDBe 5Q0F · UniProt P03951