MolNFT v1 · #109136 · protein
Ataxin-3 carboxy terminal region - crystal C2 (triclinic)
4WTH · Maltose-binding periplasmic protein, ataxin-3 chimera: “Ataxin-3 carboxy terminal region - crystal C2 (triclinic)”. X-ray diffraction, 2 ligands (GLC, ZN), 7 pockets (best druggability 0.69). MolNFT v1 #109136 on GenesisL1: 3D…
- PDB
- 4WTH
- Type
- protein
- Length
- 809 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic protein, ataxin-3 chimera
- UniProt
- P0AEY0, P54252
- Ligands
- GLC, ZN
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic protein, ataxin-3 chimera | protein | 403 | 48% helix, 19% strand | P0AEY0, P54252 |
| B | Maltose-binding periplasmic protein, ataxin-3 chimera | protein | 406 | 47% helix, 19% strand | P0AEY0, P54252 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- ZN · Zinc ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 307 | 0.69 | 0.83 | 35 | GLC |
| 2 | 299 | 0.69 | 0.83 | 32 | GLC |
| 3 | 120 | 0.36 | 0.73 | 19 | empty |
| 4 | 96 | 0.33 | 0.73 | 18 | empty |
| 5 | 64 | 0.32 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P0AEY0
- Every structure of UniProt P54252
- Elsewhere: RCSB PDB 4WTH · PDBe 4WTH · UniProt P0AEY0 · UniProt P54252
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