MolNFT v1 · #171651 · protein
Small-molecule inhibitors of the PDZ domain of dishevelled proteins interrupt wnt signalling
6ZC4 · Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B: “Small-molecule inhibitors of the PDZ domain of dishevelled proteins interrupt wnt signalling”. X-ray diffraction, 1 ligand (QEZ), 3 pockets (best druggability 0.34). MolNFT v1…
- PDB
- 6ZC4
- Type
- protein
- Length
- 173 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
- QEZ
- Pockets
- 3 · best druggability 0.34
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B | protein | 88 | 20% helix, 34% strand | Q9UG07 |
| B | Dishevelled, dsh homolog 3 (drosophila), isoform CRA_B | protein | 85 | 20% helix, 33% strand | Q9UG07 |
Ligands and binding sites
- QEZ · 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.34 | 0.75 | 22 | empty |
| 2 | 61 | 0.30 | 0.74 | 11 | QEZ |
| 3 | 55 | 0.27 | 0.73 | 10 | QEZ |
Interfaces
1 interface between chains.
- A–B · 589 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6ZC4 · 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 6ZC4 · PDBe 6ZC4 · UniProt Q9UG07
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