› 6s64

X-ray diffraction
2.22Å resolution

Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor

Released:
DOI: 10.2210/pdb6s64/pdb
PDB entry 6s64 coloured by chain, front view.
PDB entry 6s64 coloured by chain, side view.
PDB entry 6s64 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Sturbaut M, Bailly F, Coevoet M, Sileo P, Pugniere M, Liberelle M, Magnez R, Thuru X, Chartier-Harlin MC, Melnyk P, Gelin M, Allemand F, Guichou JF, Cotelle P
Eur J Med Chem 226 113835 (2021)
PMID: 34509860

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172328 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transcriptional enhancer factor TEF-4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 240 amino acids
Theoretical weight: 27.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15562 (Residues: 217-447; Coverage: 52%)
Gene names: TEAD2, TEF4
Sequence domains: YAP binding domain

Ligands and Environments

3 bound ligands:
Ligand MYR 1 x MYR
Ligand PLM 1 x PLM
Ligand KXE 1 x KXE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: C2
Unit cell:
a: 122.69Å b: 61.655Å c: 80.24Å
α: 90° β: 117.36° γ: 90°
R-values:
R R work R free
0.206 0.203 0.259
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Hippo in Gastric Cancer: From Signalling to Therapy.
Seeneevassen et al. (2022)
1 more

1 mention without citation

Protein-Protein Interaction Disruptors of the YAP/TAZ-TEAD Transcriptional Complex.
Pobbati et al. (2020)