Research workbench
Crystal structure of HTT36Q3H-EX1-X1-C2(BETA)
Analyse Crystal structure of HTT36Q3H-EX1-X1-C2(BETA) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FEB
- Type
- protein
- Length
- 1,206 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,HUNTINGTIN
- UniProt
- P0AEY0, P42858
- Ligands
- ZN, NA
- Pockets
- 19 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Maltose-binding periplasmic PROTEIN,HUNTINGTIN | protein | 402 | 47% helix, 19% strand | P0AEY0, P42858 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.74 | 0.78 | 109 | empty |
| 2 | 699 | 0.67 | 0.75 | 76 | ZN |
| 3 | 297 | 0.57 | 0.76 | 43 | ZN |
| 4 | 281 | 0.56 | 0.77 | 35 | empty |
| 5 | 170 | 0.54 | 0.79 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 876 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 800 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 767 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4FEB · Crystal Structure of Htt36Q3H-EX1-X1-C2(Beta) · 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 4FEB · PDBe 4FEB · UniProt P0AEY0 · UniProt P42858
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