› 6rjl

X-ray diffraction
1.28Å resolution

Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface

Released:
DOI: 10.2210/pdb6rjl/pdb
PDB entry 6rjl coloured by chain, front view.
PDB entry 6rjl coloured by chain, side view.
PDB entry 6rjl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
Guillory X, Wolter M, Leysen S, Neves JF, Kuusk A, Genet S, Somsen B, Morrow JK, Rivers E, van Beek L, Patel J, Goodnow R, Schoenherr H, Fuller N, Cao Q, Doveston RG, Brunsveld L, Arkin MR, Castaldi P, Boyd H, Landrieu I, Chen H, Ottmann C
J Med Chem 63 6694-6707 (2020)
PMID: 32501690

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-152169 (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
WW domain-containing transcription regulator protein 1 Chain: P
Molecule details ›
Chain: P
Length: 13 amino acids
Theoretical weight: 1.42 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9GZV5 (Residues: 86-98; Coverage: 3%)
Gene names: TAZ, WWTR1

Ligands and Environments

1 bound ligand:
Ligand K5Z 1 x K5Z
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: 82.2Å b: 112.39Å c: 62.74Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.172 0.197
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

7 review citations

Fragment-to-Lead Medicinal Chemistry Publications in 2020.
de Esch et al. (2022)
6 more