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Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF)

X-ray diffraction
2.7Å resolution
PDB entry 1r1l coloured by chain, front view.
PDB entry 1r1l coloured by chain, side view.
PDB entry 1r1l 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: 35124.17 Å2
Buried surface area: 6338.51 Å2
Dissociation area: 967.16 Å2
Dissociation energy (ΔGdiss): -0.07 kcal/mol
Dissociation entropy (TΔSdiss): 13.68 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133783

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 1r1l, assembly 1, front view.
Antithrombin-III in PDB entry 1r1l, assembly 1, side view.
Antithrombin-III in PDB entry 1r1l, assembly 1, top view.
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Antithrombin P14-P9 peptide
Chain: C
Length: 7 amino acids
Theoretical weight: 561 Da
Source organism: Homo sapiens
Expression system: Not provided
Antithrombin P14-P9 peptide in PDB entry 1r1l, assembly 1, front view.
Antithrombin P14-P9 peptide in PDB entry 1r1l, assembly 1, side view.
Antithrombin P14-P9 peptide in PDB entry 1r1l, assembly 1, top view.
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EXOGENOUS TRIPEPTIDE formyl-(NLE)LF
Chain: D
Length: 3 amino acids
Theoretical weight: 392 Da
Source organism: Homo sapiens
Expression system: Not provided
EXOGENOUS TRIPEPTIDE formyl-(NLE)LF in PDB entry 1r1l, assembly 1, front view.
EXOGENOUS TRIPEPTIDE formyl-(NLE)LF in PDB entry 1r1l, assembly 1, side view.
EXOGENOUS TRIPEPTIDE formyl-(NLE)LF in PDB entry 1r1l, assembly 1, top view.
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