› 4g8o

X-ray diffraction
2.71Å resolution

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

Released:
DOI: 10.2210/pdb4g8o/pdb
PDB entry 4g8o coloured by chain, front view.
PDB entry 4g8o coloured by chain, side view.
PDB entry 4g8o 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, C, D
Molecule details ›
Chains: A, B, C, D
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

3 bound ligands:
Ligand SO4 6 x SO4
Ligand EDO 1 x EDO
Ligand 96P 1 x 96P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P1
Unit cell:
a: 65.335Å b: 75.317Å c: 105.002Å
α: 91.32° β: 93.49° γ: 115.65°
R-values:
R R work R free
0.241 0.239 0.268
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

4 mentions without citation

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