› 4aqh

X-ray diffraction
2.4Å resolution

Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976

Released:
DOI: 10.2210/pdb4aqh/pdb
PDB entry 4aqh coloured by chain, front view.
PDB entry 4aqh coloured by chain, side view.
PDB entry 4aqh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of a small molecule inhibitor of plasminogen activator inhibitor type 1 that accelerates the transition into the latent conformation.
Fjellström O, Deinum J, Sjögren T, Johansson C, Geschwindner S, Nerme V, Legnehed A, McPheat J, Olsson K, Bodin C, Paunovic A, Gustafsson D
J Biol Chem 288 873-85 (2013)
PMID: 23155046

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138523 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasminogen activator inhibitor 1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 383 amino acids
Theoretical weight: 43.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05121 (Residues: 24-402; Coverage: 100%)
Gene names: PAI1, PLANH1, SERPINE1
Sequence domains: Serpin (serine protease inhibitor)
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand TB7 3 x TB7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P31
Unit cell:
a: 119.399Å b: 119.399Å c: 99.691Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.159 0.157 0.181
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Mechanisms of thrombosis in obesity.
Blokhin et al. (2013)
8 more

9 mentions without citation

Targeting PAI-1 in Cardiovascular Disease: Structural Insights Into PAI-1 Functionality and Inhibition.
Sillen et al. (2020)
8 more