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thrombin in complex with selective macrocyclic inhibitor at 1.8A

X-ray diffraction
1.8Å resolution
PDB entry 1nm6 coloured by chain, front view.
PDB entry 1nm6 coloured by chain, side view.
PDB entry 1nm6 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: alpha-thrombin complex and Hirudin-2
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Multimeric state: hetero dimer
Accessible surface area: 12684.26 Å2
Buried surface area: 2235.23 Å2
Dissociation area: 661.93 Å2
Dissociation energy (ΔGdiss): -0.97 kcal/mol
Dissociation entropy (TΔSdiss): 7.94 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133140

Macromolecules

Thrombin heavy chain
Chain: A
Length: 287 amino acids
Theoretical weight: 33.08 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 335-621; Coverage: 48%)
Gene name: F2
Pfam:
InterPro:
CATH: Trypsin-like serine proteases
SCOP: Eukaryotic proteases
Thrombin heavy chain in PDB entry 1nm6, assembly 1, front view.
Thrombin heavy chain in PDB entry 1nm6, assembly 1, side view.
Thrombin heavy chain in PDB entry 1nm6, assembly 1, top view.
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Hirudin-2
Chain: B
Length: 11 amino acids
Theoretical weight: 1.43 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P28504 (Residues: 55-65; Coverage: 17%)
Hirudin-2 in PDB entry 1nm6, assembly 1, front view.
Hirudin-2 in PDB entry 1nm6, assembly 1, side view.
Hirudin-2 in PDB entry 1nm6, assembly 1, top view.
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