› 4u85

X-ray diffraction
1.7Å resolution

Human Pin1 with cysteine sulfinic acid 113

Released:
DOI: 10.2210/pdb4u85/pdb
PDB entry 4u85 coloured by chain, front view.
PDB entry 4u85 coloured by chain, side view.
PDB entry 4u85 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Chen CH, Li W, Sultana R, You MH, Kondo A, Shahpasand K, Kim BM, Luo ML, Nechama M, Lin YM, Yao Y, Lee TH, Zhou XZ, Swomley AM, Butterfield DA, Zhang Y, Lu KP
Neurobiol Dis 76 13-23 (2015)
PMID: 25576397

Function and Biology Details

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

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: 181 amino acids
Theoretical weight: 20.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13526 (Residues: 1-163; Coverage: 100%)
Gene name: PIN1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 15P 1 x 15P
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P3121
Unit cell:
a: 68.774Å b: 68.774Å c: 79.599Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.205 0.203 0.245
Expression system: Escherichia coli

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Citations

27 review citations

Oxidative Stress, Amyloid-β Peptide, and Altered Key Molecular Pathways in the Pathogenesis and Progression of Alzheimer's Disease.
Butterfield et al. (2018)
26 more

2 mentions without citation

Roles of Prolyl Isomerases in RNA-Mediated Gene Expression.
Thapar R. (2015)
1 more