PDBe 1ypm

X-ray diffraction
1.85Å resolution

X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014

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
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

1 bound ligand:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: C2
Unit cell:
a: 69.652Å b: 71.721Å c: 71.331Å
α: 90° β: 99.73° γ: 90°
R-values:
R R work R free
0.196 0.191 0.26
Expression system: Not provided