Research workbench
Structural insight of flavonoids binding to cag repeat RNA that causes HUNTINGTON'S disease (hd) and spinocerebellar ataxia (scas)
Analyse Structural insight of flavonoids binding to cag repeat RNA that causes… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5XI1
- Type
- RNA
- Length
- 18 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3')
- Ligands
- MYC
- Pockets
- 1 · best druggability 0.26
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| S, A | RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | rna | 9 | — | — |
Ligands and binding sites
- MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · ligand · 2 copies · chains S, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.26 | 0.71 | 11 | empty |
Interfaces
1 interface between chains.
- S–A · 432 Ų buried · 37 hydrogen bonds · nucleic-nucleic
Compared structures
- 5XI1 · Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's… · 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
- Elsewhere: RCSB PDB 5XI1 · PDBe 5XI1
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