PDBe 4ayy

X-ray diffraction
2.6Å resolution

Human thrombin - inhibitor complex

Released:

Function and Biology Details

Reaction catalysed:
Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B.
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin light chain Chain: A
Molecule details ›
Chain: A
Length: 30 amino acids
Theoretical weight: 3.49 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 332-361; Coverage: 5%)
Gene name: F2
Thrombin heavy chain Chain: B
Molecule details ›
Chain: B
Length: 257 amino acids
Theoretical weight: 29.59 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 364-620; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin-3A' Chain: D
Molecule details ›
Chain: D
Length: 11 amino acids
Theoretical weight: 1.41 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P28508 (Residues: 55-65; Coverage: 17%)

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELLIOTT GX-21
Spacegroup: P43212
Unit cell:
a: 90.8Å b: 90.8Å c: 132.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.147 0.197
Expression system: Not provided