› 1jvq

X-ray diffraction
2.6Å resolution

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

Released:
DOI: 10.2210/pdb1jvq/pdb
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
Primary publication:
How small peptides block and reverse serpin polymerisation.
Zhou A, Stein PE, Huntington JA, Sivasothy P, Lomas DA, Carrell RW
J Mol Biol 342 931-41 (2004)
PMID: 15342247

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133781 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Antithrombin-III Chains: I, L
Molecule details ›
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
Sequence domains: Serpin (serine protease inhibitor)
Structure domains:
P14-P8 reactive loop peptide Chain: C
Molecule details ›
Chain: C
Length: 8 amino acids
Theoretical weight: 662 Da
Source organism: Homo sapiens
Expression system: Not provided
exogenous Cholecystokinin tetrapeptide Chain: D
Molecule details ›
Chain: D
Length: 5 amino acids
Theoretical weight: 596 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand NDG 7 x NDG
Ligand NAG 2 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: P21
Unit cell:
a: 69.144Å b: 100.622Å c: 87.157Å
α: 90° β: 104.42° γ: 90°
R-values:
R R work R free
0.204 0.204 0.258
Expression system: Not provided

Quick links

Citations

11 review citations

Alpha1-antitrypsin deficiency.
Stoller et al. (2005)
10 more

2 mentions without citation

Fluorescence correlation spectroscopic study of serpin depolymerization by computationally designed peptides.
Chowdhury et al. (2007)
1 more