› 7aqf

X-ray diffraction
1.77Å resolution

Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab)

Released:
DOI: 10.2210/pdb7aqf/pdb
PDB entry 7aqf coloured by chain, front view.
PDB entry 7aqf coloured by chain, side view.
PDB entry 7aqf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Insight into the Two-Step Mechanism of PAI-1 Inhibition by Small Molecule TM5484.
Sillen M, Miyata T, Vaughan DE, Strelkov SV, Declerck PJ
Int J Mol Sci 22 (2021)
PMID: 33540702

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
Molecule details ›
Chains: A, B
Length: 379 amino acids
Theoretical weight: 42.75 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)

Ligands and Environments

1 bound ligand:
Ligand RV2 1 x RV2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: C2
Unit cell:
a: 135.296Å b: 64.322Å c: 106.644Å
α: 90° β: 116.96° γ: 90°
R-values:
R R work R free
0.18 0.178 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

A Narrative Review on Plasminogen Activator Inhibitor-1 and Its (Patho)Physiological Role: To Target or Not to Target?
Sillen et al. (2021)
2 more

4 mentions without citation

Bioinformatics and Network Pharmacology-Based Approaches to Explore the Potential Mechanism of the Antidepressant Effect of Cyperi Rhizoma through Soothing the Liver.
Lei et al. (2021)
3 more