MolNFT v1 · #139512 · RNA

Structural insight of flavonoids binding to cag repeat RNA that causes HUNTINGTON'S disease (hd) and spinocerebellar ataxia (scas)

5XI1 · RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3'): “Structural insight of flavonoids binding to cag repeat RNA that causes HUNTINGTON'S disease (hd) and…”. Solution nmr, 1 ligand (MYC), 1 pocket (best druggability 0.26). MolNFT v1 #139512…

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(PCPCPGPCPAPGPCPGP*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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	75	0.26	0.71	11	empty

Interfaces

1 interface between chains.

S–A · 432 Å² 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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