› 6qds

X-ray diffraction
1.72Å resolution

Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide stabilized by semi-synthetic fusicoccane FC-NCPC

Released:
DOI: 10.2210/pdb6qds/pdb
PDB entry 6qds coloured by chain, front view.
PDB entry 6qds coloured by chain, side view.
PDB entry 6qds coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth.
Kaplan A, Andrei SA, van Regteren Altena A, Simas T, Banerjee SL, Kato N, Bisson N, Higuchi Y, Ottmann C, Fournier AE
Cell Chem Biol 27 657-667.e6 (2020)
PMID: 32220335

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-542592 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: A
Molecule details ›
Chain: A
Length: 236 amino acids
Theoretical weight: 26.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
Serine/threonine-protein kinase PAK 6 Chain: B
Molecule details ›
Chain: B
Length: 12 amino acids
Theoretical weight: 1.3 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9NQU5 (Residues: 94-104; Coverage: 2%)
Gene names: PAK5, PAK6

Ligands and Environments

3 bound ligands:
Ligand HY5 1 x HY5
Ligand CL 1 x CL
Ligand NA 2 x NA
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-003
Spacegroup: C2221
Unit cell:
a: 82.42Å b: 111.77Å c: 62.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.198
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

4 review citations

14-3-3 Proteins: Novel Pharmacological Targets in Neurodegenerative Diseases.
Pair et al. (2021)
3 more

1 mention without citation

Protein-protein interfaces in molecular glue-induced ternary complexes: classification, characterization, and prediction.
Rui et al. (2023)