› 6e5g

X-ray diffraction
2.43Å resolution

Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator

Released:
DOI: 10.2210/pdb6e5g/pdb
PDB entry 6e5g coloured by chain, front view.
PDB entry 6e5g coloured by chain, side view.
PDB entry 6e5g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Bum-Erdene K, Zhou D, Gonzalez-Gutierrez G, Ghozayel MK, Si Y, Xu D, Shannon HE, Bailey BJ, Corson TW, Pollok KE, Wells CD, Meroueh SO
Cell Chem Biol 26 378-389.e13 (2019)
PMID: 30581134

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: 235 amino acids
Theoretical weight: 26.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q15562 (Residues: 217-447; Coverage: 52%)
Gene names: TEAD2, TEF4
Sequence domains: YAP binding domain
Structure domains: Coagulation Factor XIII; Chain A, domain 1

Ligands and Environments

1 bound ligand:
Ligand HUY 2 x HUY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: C2
Unit cell:
a: 123.757Å b: 61.226Å c: 79.839Å
α: 90° β: 116.89° γ: 90°
R-values:
R R work R free
0.223 0.22 0.268
Expression system: Escherichia coli BL21

Quick links

Citations

34 review citations

Targeting the Hippo pathway in cancer, fibrosis, wound healing and regenerative medicine.
Dey et al. (2020)
33 more

1 mention without citation

Extended Applications of Small-Molecule Covalent Inhibitors toward Novel Therapeutic Targets.
Lee et al. (2022)