PDBe 2y82

X-ray diffraction
2.2Å resolution

Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Factor X light chain Chain: B
Molecule details ›
Chain: B
Length: 134 amino acids
Theoretical weight: 15.21 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00742 (Residues: 46-179; Coverage: 29%)
Gene name: F10
Sequence domains:
Structure domains: Laminin
Activated factor Xa heavy chain Chain: A
Molecule details ›
Chain: A
Length: 254 amino acids
Theoretical weight: 28.55 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00742 (Residues: 235-488; Coverage: 56%)
Gene name: F10
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 56.693Å b: 72.212Å c: 78.759Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.178 0.233