MolNFT v1 · #67566 · protein
Huntingtin amino-terminal region with 17 gln residues - crystal C90
3IO4 · Maltose-binding periplasmic PROTEIN,HUNTINGTIN fusion…: “Huntingtin amino-terminal region with 17 gln residues - crystal C90”. X-ray diffraction, 2 ligands (ZN, CA), 18 pockets (best druggability 0.74). MolNFT v1 #67566 on…
- PDB
- 3IO4
- Type
- protein
- Length
- 1,212 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,HUNTINGTIN fusion protein
- UniProt
- P0AEY0, P42858
- Ligands
- ZN, CA
- Pockets
- 18 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic PROTEIN,HUNTINGTIN fusion protein | protein | 417 | 42% helix, 12% strand | P0AEY0, P42858 |
| B | Maltose-binding periplasmic PROTEIN,HUNTINGTIN fusion protein | protein | 397 | 46% helix, 12% strand | P0AEY0, P42858 |
| C | Maltose-binding periplasmic PROTEIN,HUNTINGTIN fusion protein | protein | 398 | 43% helix, 14% strand | P0AEY0, P42858 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.74 | 0.81 | 57 | empty |
| 2 | 458 | 0.72 | 0.82 | 60 | empty |
| 3 | 226 | 0.68 | 0.85 | 35 | empty |
| 4 | 352 | 0.67 | 0.81 | 50 | empty |
| 5 | 298 | 0.63 | 0.80 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–C · 977 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 874 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 717 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3IO4 · Huntingtin amino-terminal region with 17 Gln residues - Crystal C90 · 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 P0AEY0
- Every structure of UniProt P42858
- Elsewhere: RCSB PDB 3IO4 · PDBe 3IO4 · UniProt P0AEY0 · UniProt P42858
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