› 2itk

X-ray diffraction
1.45Å resolution

human Pin1 bound to D-PEPTIDE

Released:
DOI: 10.2210/pdb2itk/pdb
PDB entry 2itk coloured by chain, front view.
PDB entry 2itk coloured by chain, side view.
PDB entry 2itk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for high-affinity peptide inhibition of human Pin1.
Zhang Y, Daum S, Wildemann D, Zhou XZ, Verdecia MA, Bowman ME, Lücke C, Hunter T, Lu KP, Fischer G, Noel JP
ACS Chem Biol 2 320-8 (2007)
PMID: 17518432

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162764 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Chain: A
Molecule details ›
Chain: A
Length: 167 amino acids
Theoretical weight: 18.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13526 (Residues: 1-163; Coverage: 100%)
Gene name: PIN1
Sequence domains:
Structure domains:
D-Peptide Chain: B
Molecule details ›
Chain: B
Length: 7 amino acids
Theoretical weight: 807 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand PE4 1 x PE4
2 modified residues:
Ligand D11 1 x D11
Ligand NAL 1 x NAL

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P3121
Unit cell:
a: 68.727Å b: 68.727Å c: 79.957Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.223 0.222 0.235
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

20 review citations

The prolyl isomerase PIN1: a pivotal new twist in phosphorylation signalling and disease.
Lu et al. (2007)
19 more

14 mentions without citation

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