Research workbench
Structure enabled discovery of a stapled peptide inhibitor to target the oncogenic transcriptional repressor TLE1
Analyse Structure enabled discovery of a stapled peptide inhibitor to target the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MWJ
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transducin-like enhancer protein 1
- UniProt
- Q04724
- Ligands
- EBU
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transducin-like enhancer protein 1 | protein | 324 | 0% helix, 56% strand | Q04724 |
| B | Transducin-like enhancer protein 1 | protein | 322 | 0% helix, 55% strand | Q04724 |
Ligands and binding sites
- EBU · pepide inhibtor · ligand · 2 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.79 | 0.83 | 56 | empty |
| 2 | 637 | 0.77 | 0.83 | 51 | empty |
| 3 | 87 | 0.53 | 0.84 | 20 | empty |
| 4 | 60 | 0.45 | 0.84 | 15 | empty |
| 5 | 80 | 0.44 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1136 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 5MWJ · Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic… · the same entry in another collection · chain A against A, TM-score 1.00
- Q04724 · AlphaFold monomer V2.0 prediction for transducin-like enhancer protein 1 (Q04724) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q04724
- Elsewhere: RCSB PDB 5MWJ · PDBe 5MWJ · UniProt Q04724
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