› 7nsv

X-ray diffraction
1.33Å resolution

14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046

Released:
DOI: 10.2210/pdb7nsv/pdb
PDB entry 7nsv coloured by chain, front view.
PDB entry 7nsv coloured by chain, side view.
PDB entry 7nsv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
Cossar PJ, Wolter M, van Dijck L, Valenti D, Levy LM, Ottmann C, Brunsveld L
OpenAccess logo J Am Chem Soc 143 8454-8464 (2021)
PMID: 34047554

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: 28.23 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: 13 amino acids
Theoretical weight: 1.41 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q04206 (Residues: 39-51; Coverage: 2%)
Gene names: NFKB3, RELA

Ligands and Environments

2 bound ligands:
Ligand UQN 1 x UQN
Ligand GOL 1 x GOL
2 modified residues:
Ligand CSO 1 x CSO
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: 82.288Å b: 112.163Å c: 62.634Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.202 0.213
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

6 review citations

Molecular glues modulate protein functions by inducing protein aggregation: A promising therapeutic strategy of small molecules for disease treatment.
Wu et al. (2022)
5 more