› 4g8r

X-ray diffraction
2.19Å resolution

Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1

Released:
DOI: 10.2210/pdb4g8r/pdb
PDB entry 4g8r coloured by chain, front view.
PDB entry 4g8r coloured by chain, side view.
PDB entry 4g8r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Li SH, Reinke AA, Sanders KL, Emal CD, Whisstock JC, Stuckey JA, Lawrence DA
Proc Natl Acad Sci U S A 110 E4941-9 (2013)
PMID: 24297881

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: 376 amino acids
Theoretical weight: 42.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05121 (Residues: 28-402; Coverage: 99%)
Gene names: PAI1, PLANH1, SERPINE1
Sequence domains: Serpin (serine protease inhibitor)
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 1 x SO4
Ligand 96P 2 x 96P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: C2
Unit cell:
a: 134.963Å b: 65.504Å c: 96.99Å
α: 90° β: 100.62° γ: 90°
R-values:
R R work R free
0.177 0.175 0.215
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

An aberrant STAT pathway is central to COVID-19.
Matsuyama et al. (2020)
7 more

5 mentions without citation

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