Research workbench
Crystal structure analysis of human TEAD1
Analyse Crystal structure analysis of human TEAD1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LI5
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional enhancer factor tef-1
- UniProt
- E9PKB7
- Ligands
- Y2D, SO4
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional enhancer factor tef-1 | protein | 208 | 17% helix, 54% strand | E9PKB7 |
| B | Transcriptional enhancer factor tef-1 | protein | 208 | 17% helix, 52% strand | E9PKB7 |
Ligands and binding sites
- Y2D · 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.86 | 0.95 | 41 | Y2D |
| 2 | 271 | 0.85 | 0.95 | 35 | Y2D |
| 3 | 492 | 0.66 | 0.78 | 43 | empty |
| 4 | 80 | 0.51 | 0.83 | 15 | empty |
| 5 | 129 | 0.48 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 971 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7LI5 · Crystal Structure Analysis of human TEAD1 · the same entry in another collection · chain A against A, TM-score 1.00
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 E9PKB7
- Elsewhere: RCSB PDB 7LI5 · PDBe 7LI5 · UniProt E9PKB7
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