› 6qhl

X-ray diffraction
1.2Å resolution

14-3-3 sigma with RelA/p65 binding site pS45

Released:
DOI: 10.2210/pdb6qhl/pdb
PDB entry 6qhl coloured by chain, front view.
PDB entry 6qhl coloured by chain, side view.
PDB entry 6qhl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
Wolter M, de Vink P, Neves JF, Srdanović S, Higuchi Y, Kato N, Wilson A, Landrieu I, Brunsveld L, Ottmann C
OpenAccess logo J Am Chem Soc 142 11772-11783 (2020)
PMID: 32501683

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-152152 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: A
Molecule details ›
Chain: A
Length: 253 amino acids
Theoretical weight: 28.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-248; Coverage: 100%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
Transcription factor p65 Chain: P
Molecule details ›
Chain: P
Length: 14 amino acids
Theoretical weight: 1.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q04206 (Residues: 38-51; Coverage: 3%)
Gene names: NFKB3, RELA

Ligands and Environments

1 bound ligand:
Ligand GOL 2 x GOL
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: C2221
Unit cell:
a: 82.34Å b: 112.39Å c: 62.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.15 0.164
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The role of 14-3-3 proteins in cell signalling pathways and virus infection.
Liu et al. (2021)
5 more

7 mentions without citation

Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
Wolter et al. (2020)
6 more