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
- 6ZC3
- Type
- protein
- Length
- 183 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B
- UniProt
- Q9UG07
- Ligands
- JOR
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B | protein | 90 | 20% helix, 31% strand | Q9UG07 |
| B | Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B | protein | 93 | 18% helix, 32% strand | Q9UG07 |
Ligands and binding sites
- JOR · 5-fluoranyl-2-(methylsulfonylamino)benzoic acid · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 275 | 0.59 | 0.78 | 22 | JOR |
| 2 | 59 | 0.30 | 0.74 | 12 | JOR |
Interfaces
1 interface between chains.
- A–B · 410 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6ZC3 · 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
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 Q9UG07
- Elsewhere: RCSB PDB 6ZC3 · PDBe 6ZC3 · UniProt Q9UG07
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