› 8vjg

X-ray diffraction
1.58Å resolution

Human R14A Pin1 covalently bound to inhibitor 164A10

Released:
DOI: 10.2210/pdb8vjg/pdb
Model geometry
Fit model/data
PDB entry 8vjg coloured by chain, front view.
PDB entry 8vjg coloured by chain, side view.
PDB entry 8vjg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeted degradation of Pin1 by protein-destabilizing compounds.
Alboreggia G, Udompholkul P, Rodriguez I, Blaha G, Pellecchia M
Proc Natl Acad Sci U S A 121 e2403330121 (2024)
PMID: 39531501

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171737 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Chain: A
Molecule details ›
Chain: A
Length: 166 amino acids
Theoretical weight: 18.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: Q13526 (Residues: 1-163; Coverage: 100%)
Gene name: PIN1
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand A1ACH 1 x A1ACH
Ligand P33 1 x P33
Ligand DTT 1 x DTT
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P3121
Unit cell:
a: 68.827Å b: 68.827Å c: 79.251Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.204 0.203 0.229
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

1 citations in other articles

Targeted degradation of Pin1 by protein-destabilizing compounds.
Alboreggia et al. (2024)