Research workbench
The structure of the first ywtd beta propeller domain of LRP6 in complex with a DKK1 peptide
Analyse The structure of the first ywtd beta propeller domain of LRP6 in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SOQ
- Type
- protein
- Length
- 312 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Low-density lipoprotein receptor-related protein 6; Dickkopf-related protein 1
- UniProt
- O75581, O94907
- Ligands
- ACE, NAG, FUC, CA, NH2
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Low-density lipoprotein receptor-related protein 6 | protein | 305 | 4% helix, 49% strand | O75581 |
| Z | Dickkopf-related protein 1 | protein | 7 | 0% helix, 0% strand | O94907 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains Z
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- FUC · alpha-L-fucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- NH2 · Amino group · ion · chains Z
- GOL · Glycerol · 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 | 90 | 0.76 | 0.98 | 31 | empty |
| 2 | 53 | 0.37 | 0.79 | 10 | empty |
Interfaces
1 interface between chains.
- A–Z · 479 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 3SOQ · The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1… · the same entry in another collection · chain A against A, TM-score 1.00
- O75581 · AlphaFold monomer V2.0 prediction for low-density lipoprotein receptor-related protein 6… · a predicted model of the same protein · chain A against A, TM-score 0.99
- O94907 · AlphaFold monomer V2.0 prediction for dickkopf-related protein 1 (O94907) · a predicted model of the same protein · chain Z against A, TM-score 0.52
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 O75581
- Every structure of UniProt O94907
- Elsewhere: RCSB PDB 3SOQ · PDBe 3SOQ · UniProt O75581 · UniProt O94907
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