PDBe 5q0f

X-ray diffraction
2.12Å resolution

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


Function and Biology Details

Reaction catalysed:
Selective cleavage of Arg-|-Ala and Arg-|-Val bonds in factor IX to form factor IXa.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Coagulation factor XIa light chain Chain: A
Molecule details ›
Chain: A
Length: 244 amino acids
Theoretical weight: 27.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: NEW P03951 (Residues: 388-625; Coverage: 39%)
Gene name: F11
Sequence domains: Trypsin
Coagulation factor XIa heavy chain Chain: H
Molecule details ›
Chain: H
Length: 18 amino acids
Theoretical weight: 2.16 KDa
Source organism: Homo sapiens
  • Canonical: NEW P03951 (Residues: 375-387; Coverage: 2%)
Gene name: F11

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P3221
Unit cell:
a: 78.6Å b: 78.6Å c: 106Å
α: 90° β: 90° γ: 120°
R R work R free
0.186 0.185 0.197
Expression system: Escherichia coli BL21(DE3)