PDBe 1qur

X-ray diffraction
2Å resolution

HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR

Released:

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: 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
BIVALENT INHIBITOR (BZA-2 HIRULOG) Chain: I
Molecule details ›
Chain: I
Length: 19 amino acids
Theoretical weight: 2.4 KDa

Ligands and Environments

No bound ligands

2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: C2
Unit cell:
a: 71.32Å b: 72.41Å c: 72.33Å
α: 90° β: 100.27° γ: 90°
R-values:
R R work R free
0.209 0.209 0.246