Research workbench
Crystal structure of HTT36Q3H
Analyse Crystal structure of HTT36Q3H in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FED
- Type
- protein
- Length
- 1,204 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
- 18 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 401 | 46% helix, 18% strand | P0AEX9, P42858 |
| B | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 402 | 47% helix, 20% strand | P0AEX9, 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.75 | 0.78 | 110 | empty |
| 2 | 252 | 0.57 | 0.78 | 37 | empty |
| 3 | 208 | 0.56 | 0.79 | 36 | ZN |
| 4 | 205 | 0.56 | 0.79 | 34 | empty |
| 5 | 195 | 0.55 | 0.79 | 37 | ZN |
Interfaces
3 interfaces between chains.
- B–C · 911 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 820 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 774 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4FED · Crystal Structure of Htt36Q3H · 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 4FED · PDBe 4FED · UniProt P0AEX9 · UniProt P42858
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