PDBe 1d9i

X-ray diffraction
2.3Å resolution

STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1

Released:
Source organisms:
Primary publication:
Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr. D Biol. Crystallogr. 56 294-303 (2000)
PMID: 10713516

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:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Thrombin heavy chain Chain: A
Molecule details ›
Chain: A
Length: 288 amino acids
Theoretical weight: 33.15 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 334-621; Coverage: 48%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin-2 Chain: I
Molecule details ›
Chain: I
Length: 10 amino acids
Theoretical weight: 1.36 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P28504 (Residues: 55-64; Coverage: 15%)

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 71.46Å b: 72.19Å c: 73.12Å
α: 90° β: 100.7° γ: 90°
R-values:
R R work R free
0.153 0.153 not available
Expression system: Not provided