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Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site

X-ray diffraction
1.8Å resolution
PDB entry 1jou coloured by chain, front view.
PDB entry 1jou coloured by chain, side view.
PDB entry 1jou coloured by chain, top view.
Source organism: Homo sapiens
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
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Multimeric state: hetero dimer
Accessible surface area: 13934.97 Å2
Buried surface area: 4809.58 Å2
Dissociation area: 1,698.27 Å2
Dissociation energy (ΔGdiss): 17.53 kcal/mol
Dissociation entropy (TΔSdiss): 11 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133055
Complex Portal ID: CPX-6222
Assembly 2
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Assembly Name: alpha-thrombin complex
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Multimeric state: hetero dimer
Accessible surface area: 14567.63 Å2
Buried surface area: 3407.09 Å2
Dissociation area: 1,621.78 Å2
Dissociation energy (ΔGdiss): 15.76 kcal/mol
Dissociation entropy (TΔSdiss): 11.12 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133055
Complex Portal ID: CPX-6222
Assembly 3
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Assembly Name: alpha-thrombin complex
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Multimeric state: hetero dimer
Accessible surface area: 14278.75 Å2
Buried surface area: 3625.93 Å2
Dissociation area: 1,628.38 Å2
Dissociation energy (ΔGdiss): 13.9 kcal/mol
Dissociation entropy (TΔSdiss): 11.09 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133055
Complex Portal ID: CPX-6222

Macromolecules

Thrombin light chain
Chains: A, C, E
Length: 49 amino acids
Theoretical weight: 5.64 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P00734 (Residues: 315-363; Coverage: 8%)
Gene name: F2
Pfam: Thrombin light chain
InterPro:
CATH: Thrombin light chain domain
SCOP: Eukaryotic proteases
Thrombin light chain in PDB entry 1jou, assembly 1, front view.
Thrombin light chain in PDB entry 1jou, assembly 1, side view.
Thrombin light chain in PDB entry 1jou, assembly 1, top view.
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Thrombin heavy chain
Chains: B, D, F
Length: 259 amino acids
Theoretical weight: 29.76 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P00734 (Residues: 364-622; Coverage: 43%)
Gene name: F2
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases
SCOP: Eukaryotic proteases
Thrombin heavy chain in PDB entry 1jou, assembly 1, front view.
Thrombin heavy chain in PDB entry 1jou, assembly 1, side view.
Thrombin heavy chain in PDB entry 1jou, assembly 1, top view.
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