Research workbench
The structure of a beta propeller domain in complex with peptide S
Analyse The structure of a beta propeller domain in complex with peptide S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SOV
- Type
- protein
- Length
- 313 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Low-density lipoprotein receptor-related protein 6; Sclerostin
- UniProt
- O75581, Q9BQB4
- Ligands
- FUC, NAG
- Pockets
- 2 · best druggability 0.77
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 | 306 | 4% helix, 49% strand | O75581 |
| Z | Sclerostin | protein | 7 | 0% helix, 0% strand | Q9BQB4 |
Ligands and binding sites
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 93 | 0.77 | 0.98 | 31 | empty |
| 2 | 50 | 0.34 | 0.79 | 10 | GOL |
Interfaces
1 interface between chains.
- A–Z · 439 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3SOV · The structure of a beta propeller domain in complex with peptide S · 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
- Q9BQB4 · AlphaFold monomer V2.0 prediction for sclerostin (Q9BQB4) · a predicted model of the same protein · chain Z against A, TM-score 0.46
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 Q9BQB4
- Elsewhere: RCSB PDB 3SOV · PDBe 3SOV · UniProt O75581 · UniProt Q9BQB4
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