› 3sml

X-ray diffraction
1.9Å resolution

Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone

Released:
DOI: 10.2210/pdb3sml/pdb
PDB entry 3sml coloured by chain, front view.
PDB entry 3sml coloured by chain, side view.
PDB entry 3sml coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Anders C, Higuchi Y, Koschinsky K, Bartel M, Schumacher B, Thiel P, Nitta H, Preisig-Müller R, Schlichthörl G, Renigunta V, Ohkanda J, Daut J, Kato N, Ottmann C
Chem Biol 20 583-93 (2013)
PMID: 23601647

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152170 (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: 26.58 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
Structure domains: 14-3-3 domain
Potassium channel subfamily K member 9 Chain: P
Molecule details ›
Chain: P
Length: 5 amino acids
Theoretical weight: 728 Da
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9NPC2 (Residues: 370-374; Coverage: 1%)
Gene names: KCNK9, TASK3

Ligands and Environments

3 bound ligands:
Ligand FW1 1 x FW1
Ligand CL 1 x CL
Ligand MG 4 x MG
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: C2221
Unit cell:
a: 82.34Å b: 112.05Å c: 62.56Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.161 0.206
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

17 review citations

Modulators of 14-3-3 Protein-Protein Interactions.
Stevers et al. (2018)
16 more

2 mentions without citation

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