Factor xia in complex with the inhibitor ((15S)-18-chloro- 15-(((2E)- 3-(5-chloro-2-(1H-tetrazol-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19- DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-pentaen-5- YL)CARBAMATE

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).

Ligands and binding sites

• 7DL · ((15S)-18-chloro- 15-(((2E)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6, 16(19)-pentaen-5-yl)carbamate · ligand · chains A
• SO4 · Sulfate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 15 copies · 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.

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

• 5TKS · Factor xia in complex with the inhibitor ((15S)-18-chloro… · 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 5TKS · PDBe 5TKS · UniProt P03951