› 3smn

X-ray diffraction
2Å resolution

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

Released:
DOI: 10.2210/pdb3smn/pdb
PDB entry 3smn coloured by chain, front view.
PDB entry 3smn coloured by chain, side view.
PDB entry 3smn 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: 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

4 bound ligands:
Ligand FC7 1 x FC7
Ligand MG 2 x MG
Ligand CA 2 x CA
Ligand CL 2 x CL
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: 82.2Å b: 111.96Å c: 62.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.152 0.203
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

16 review citations

Stabilization of protein-protein interactions in drug discovery.
Andrei et al. (2017)
15 more

3 mentions without citation

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