› 6bjo

X-ray diffraction
1.75Å resolution

PICK1 PDZ domain in complex with the small molecule inhibitor BIO124.

Released:
DOI: 10.2210/pdb6bjo/pdb
PDB entry 6bjo coloured by chain, front view.
PDB entry 6bjo coloured by chain, side view.
PDB entry 6bjo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Marcotte DJ, Hus JC, Banos CC, Wildes C, Arduini R, Bergeron C, Hession CA, Baker DP, Lin E, Guckian KM, Dunah AW, Silvian LF
Protein Sci 27 672-680 (2018)
PMID: 29280296

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192553 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
PRKCA-binding protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 125 amino acids
Theoretical weight: 13.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NRD5 (Residues: 1-105; Coverage: 25%)
Gene names: PICK1, PRKCABP
Sequence domains: PDZ domain
Structure domains: Pdz3 Domain

Ligands and Environments

1 bound ligand:
Ligand DUY 2 x DUY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P32
Unit cell:
a: 54.011Å b: 54.011Å c: 77.873Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.14 0.139 0.157
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Peptide Targeting of PDZ-Dependent Interactions as Pharmacological Intervention in Immune-Related Diseases.
Gutiérrez-González et al. (2021)
2 more

3 mentions without citation

PDZ Domains as Drug Targets.
Christensen et al. (2019)
2 more