PDBe 2pw8

X-ray diffraction
1.84Å resolution

Crystal structure of sulfo-hirudin complexed to thrombin

Released:
Source organisms:
Primary publication:
Crystal structure of a biosynthetic sulfo-hirudin complexed to thrombin.
J. Am. Chem. Soc. 129 10648-9 (2007)
PMID: 17685615

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin light chain Chain: L
Molecule details ›
Chain: L
Length: 27 amino acids
Theoretical weight: 3.19 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 334-360; Coverage: 5%)
Gene name: F2
Thrombin heavy chain Chain: H
Molecule details ›
Chain: H
Length: 258 amino acids
Theoretical weight: 29.65 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 364-621; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin variant-1 Chain: I
Molecule details ›
Chain: I
Length: 65 amino acids
Theoretical weight: 7.07 KDa
Source organism: Hirudo medicinalis
Expression system: Escherichia coli
UniProt:
  • Canonical: P01050 (Residues: 3-65; Coverage: 97%)
Structure domains: Thrombin Inhibitor (Hirudin), subunit I

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: C2221
Unit cell:
a: 54.074Å b: 103.567Å c: 139.184Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.233
Expression system: Escherichia coli