Research workbench
Huntingtin amino-terminal region with 17 gln residues - crystal C92-B
Analyse Huntingtin amino-terminal region with 17 gln residues - crystal C92-B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IOT
- Type
- protein
- Length
- 1,205 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,HUNTINGTIN
- UniProt
- P0AEX9, P42858
- Ligands
- ZN, CA
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 388 | 47% helix, 17% strand | P0AEX9, P42858 |
| B | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 399 | 47% helix, 16% strand | P0AEX9, P42858 |
| C | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 418 | 44% helix, 16% strand | P0AEX9, P42858 |
Ligands and binding sites
- ZN · Zinc ion · metal · 9 copies · chains A, B, C
- CA · Calcium ion · metal · 9 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 723 | 0.77 | 0.81 | 70 | empty |
| 2 | 291 | 0.69 | 0.83 | 45 | empty |
| 3 | 184 | 0.58 | 0.81 | 37 | empty |
| 4 | 287 | 0.57 | 0.77 | 37 | empty |
| 5 | 154 | 0.53 | 0.80 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–C · 884 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 747 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 640 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3IOT · Huntingtin amino-terminal region with 17 Gln residues - crystal C92-b · 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 P0AEX9
- Every structure of UniProt P42858
- Elsewhere: RCSB PDB 3IOT · PDBe 3IOT · UniProt P0AEX9 · UniProt P42858
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