MolNFT v1 · #147191 · protein
Crystal structure of human TEAD2-yap binding domain covalently bound to an allosteric regulator
6E5G · Transcriptional enhancer factor tef-4: “Crystal structure of human TEAD2-yap binding domain covalently bound to an allosteric regulator”. X-ray diffraction, 1 ligand (HUY), 6 pockets (best druggability 0.83). MolNFT v1 #147191 on…
- PDB
- 6E5G
- Type
- protein
- Length
- 415 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional enhancer factor tef-4
- UniProt
- Q15562
- Ligands
- HUY
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Transcriptional enhancer factor tef-4 | protein | 208 | 17% helix, 49% strand | Q15562 |
| A | Transcriptional enhancer factor tef-4 | protein | 207 | 17% helix, 49% strand | Q15562 |
Ligands and binding sites
- HUY · 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 212 | 0.83 | 0.96 | 35 | HUY |
| 2 | 183 | 0.82 | 0.96 | 35 | HUY |
| 3 | 414 | 0.69 | 0.81 | 40 | empty |
| 4 | 500 | 0.60 | 0.74 | 55 | empty |
| 5 | 74 | 0.34 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 660 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6E5G · Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric… · the same entry in another collection · chain B against B, TM-score 1.00
- Q15562 · AlphaFold monomer V2.0 prediction for transcriptional enhancer factor tef-4 (Q15562) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q15562
- Elsewhere: RCSB PDB 6E5G · PDBe 6E5G · UniProt Q15562
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