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Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide

X-ray diffraction
2.6Å resolution
PDB entry 1jvq coloured by chain, front view.
PDB entry 1jvq coloured by chain, side view.
PDB entry 1jvq coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Antithrombin-III and peptide
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Multimeric state: hetero tetramer
Accessible surface area: 34683.17 Å2
Buried surface area: 6965.93 Å2
Dissociation area: 948.71 Å2
Dissociation energy (ΔGdiss): 0.24 kcal/mol
Dissociation entropy (TΔSdiss): 13.67 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133781

Macromolecules

Antithrombin-III
Chains: I, L
Length: 432 amino acids
Theoretical weight: 49.1 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P01008 (Residues: 33-464; Coverage: 100%)
Gene names: AT3, PRO0309, SERPINC1
Pfam: Serpin (serine protease inhibitor)
InterPro:
CATH:
SCOP: Serpins
Antithrombin-III in PDB entry 1jvq, assembly 1, front view.
Antithrombin-III in PDB entry 1jvq, assembly 1, side view.
Antithrombin-III in PDB entry 1jvq, assembly 1, top view.
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P14-P8 reactive loop peptide
Chain: C
Length: 8 amino acids
Theoretical weight: 662 Da
Source organism: Homo sapiens
Expression system: Not provided
P14-P8 reactive loop peptide in PDB entry 1jvq, assembly 1, front view.
P14-P8 reactive loop peptide in PDB entry 1jvq, assembly 1, side view.
P14-P8 reactive loop peptide in PDB entry 1jvq, assembly 1, top view.
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exogenous Cholecystokinin tetrapeptide
Chain: D
Length: 5 amino acids
Theoretical weight: 596 Da
Source organism: Homo sapiens
Expression system: Not provided
exogenous Cholecystokinin tetrapeptide in PDB entry 1jvq, assembly 1, front view.
exogenous Cholecystokinin tetrapeptide in PDB entry 1jvq, assembly 1, side view.
exogenous Cholecystokinin tetrapeptide in PDB entry 1jvq, assembly 1, top view.
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