Research workbench
Small-molecule inhibitors of the PDZ domain of dishevelled proteins interrupt wnt signalling
Analyse Small-molecule inhibitors of the PDZ domain of dishevelled proteins interrupt… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZC8
- Type
- protein
- Length
- 176 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Segment polarity protein dishevelled homolog dvl-3
- UniProt
- Q92997
- Ligands
- QEK
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Segment polarity protein dishevelled homolog dvl-3 | protein | 92 | 20% helix, 35% strand | Q92997 |
| B | Segment polarity protein dishevelled homolog dvl-3 | protein | 84 | 21% helix, 32% strand | Q92997 |
Ligands and binding sites
- QEK · 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino) methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.30 | 0.74 | 11 | QEK |
Interfaces
1 interface between chains.
- A–B · 671 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6ZC8 · Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92997 · AlphaFold monomer V2.0 prediction for segment polarity protein dishevelled homolog dvl-3… · a predicted model of the same protein · chain B against A, TM-score 0.90
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 Q92997
- Elsewhere: RCSB PDB 6ZC8 · PDBe 6ZC8 · UniProt Q92997
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