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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.

X-ray diffraction
2.1Å resolution
PDB entry 8kme coloured by chain, front view.
PDB entry 8kme coloured by chain, side view.
PDB entry 8kme coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 4 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: alpha-thrombin complex and peptide
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Multimeric state: hetero tetramer
Accessible surface area: 12171.94 Å2
Buried surface area: 5213.13 Å2
Dissociation area: 572.42 Å2
Dissociation energy (ΔGdiss): -0.39 kcal/mol
Dissociation entropy (TΔSdiss): 7.45 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133127

Macromolecules

Thrombin light chain
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
Pfam: Thrombin light chain
InterPro:
SCOP: Eukaryotic proteases
Thrombin light chain in PDB entry 8kme, assembly 1, front view.
Thrombin light chain in PDB entry 8kme, assembly 1, side view.
Thrombin light chain in PDB entry 8kme, assembly 1, top view.
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Thrombin heavy chain
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
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases
SCOP: Eukaryotic proteases
Thrombin heavy chain in PDB entry 8kme, assembly 1, front view.
Thrombin heavy chain in PDB entry 8kme, assembly 1, side view.
Thrombin heavy chain in PDB entry 8kme, assembly 1, top view.
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N-ACETYLHIRUDIN
Chain: 3
Length: 10 amino acids
Theoretical weight: 1.36 KDa
N-ACETYLHIRUDIN in PDB entry 8kme, assembly 1, front view.
N-ACETYLHIRUDIN in PDB entry 8kme, assembly 1, side view.
N-ACETYLHIRUDIN in PDB entry 8kme, assembly 1, top view.
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SEL2770
Chain: 4
Length: 7 amino acids
Theoretical weight: 737 Da
SEL2770 in PDB entry 8kme, assembly 1, front view.
SEL2770 in PDB entry 8kme, assembly 1, side view.
SEL2770 in PDB entry 8kme, assembly 1, top view.
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