Structure analysis

Novel Covalent Active Site Thrombin Inhibitors

X-ray diffraction
2.2Å resolution
Source organisms:
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 13754.29 Å2
Buried surface area: 4606.18 Å2
Dissociation area: 591.08 Å2
Dissociation energy (ΔGdiss): 0.39 kcal/mol
Dissociation entropy (TΔSdiss): 7.8 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133065

Macromolecules

Chain: A
Length: 36 amino acids
Theoretical weight: 4.1 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 328-363; Coverage: 6%)
Gene name: F2
Pfam: Thrombin light chain
InterPro:
SCOP: Eukaryotic proteases

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Chain: I
Length: 10 amino acids
Theoretical weight: 1.36 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P01050 (Residues: 55-64; Coverage: 15%)

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