PDBe 1c4u

X-ray diffraction
2.1Å resolution

SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin light chain Chain: 1
Molecule details ›
Chain: 1
Length: 36 amino acids
Theoretical weight: 4.1 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 328-363; Coverage: 6%)
Gene name: F2
Thrombin heavy chain Chain: 2
Molecule details ›
Chain: 2
Length: 259 amino acids
Theoretical weight: 29.78 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 364-622; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin-2 Chain: 3
Molecule details ›
Chain: 3
Length: 14 amino acids
Theoretical weight: 1.65 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P28504 (Residues: 55-63; Coverage: 14%)

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2
Unit cell:
a: 71.51Å b: 72.02Å c: 72.91Å
α: 90° β: 100.8° γ: 90°
R-values:
R R work R free
0.167 0.167 not available
Expression system: Not provided