PDBe 4udw

X-ray diffraction
1.16Å resolution

Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide


Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin heavy chain Chain: H
Molecule details ›
Chain: H
Length: 258 amino acids
Theoretical weight: 29.65 KDa
Source organism: Homo sapiens
  • Canonical: P00734 (Residues: 364-621; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin variant-2 Chain: I
Molecule details ›
Chain: I
Length: 11 amino acids
Theoretical weight: 1.49 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
  • Canonical: P09945 (Residues: 62-72; Coverage: 17%)
Thrombin light chain Chain: L
Molecule details ›
Chain: L
Length: 28 amino acids
Theoretical weight: 3.32 KDa
Source organism: Homo sapiens
  • Canonical: P00734 (Residues: 333-360; Coverage: 5%)
Gene name: F2

Ligands and Environments

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: C2
Unit cell:
a: 69.64Å b: 71.106Å c: 72.327Å
α: 90° β: 100.44° γ: 90°
R R work R free
0.125 0.124 0.141
Expression system: Not provided