› 3p1s

X-ray diffraction
1.65Å resolution

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

Released:
DOI: 10.2210/pdb3p1s/pdb
PDB 3p1s coloured by chain and viewed from the front.
PDB 3p1s coloured by chain and viewed from the side.
PDB 3p1s coloured by chain and viewed from the top.
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:
Non-polymer only tetramer (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: 26.56 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
Structure domains: 14-3-3 domain
Potassium channel subfamily K member 9 Chain: P
Molecule details ›
Chain: P
Length: 6 amino acids
Theoretical weight: 857 Da
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9NPC2 (Residues: 369-374; Coverage: 2%)
Gene names: KCNK9, TASK3

Ligands and Environments

3 bound ligands:
Ligand FSC 1 x FSC
Ligand CL 1 x CL
Ligand MG 2 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: 82.21Å b: 111.18Å c: 62.35Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.145 0.201
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

10 review citations

Emerging modes-of-action in drug discovery.
Valeur et al. (2019)
9 more