› 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 7aqf coloured by chain and viewed from the front.
PDB 7aqf coloured by chain and viewed from the side.
PDB 7aqf coloured by chain and viewed from the top.
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:

Structure analysis Details

Assembly composition:
monomeric (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)

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Citations

2 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)
1 more