MolNFT v1 · #169415 · RNA

Ires-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex

6XB7 · RNA (41-mer): “Ires-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary…”. Solution nmr, 1 ligand (UYS), 1 pocket (best druggability 0.32). MolNFT v1 #169415 on GenesisL1: 3D…

PDB: 6XB7
Type: RNA
Length: 41 nucleotides
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA (41-mer)
Ligands: UYS
Pockets: 1 · best druggability 0.32

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA (41-mer)	rna	41	—	—

Ligands and binding sites

UYS · 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide · ligand · chains 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	73	0.32	0.75	9	UYS

Compared structures

6XB7 · IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric… · 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 6XB7 · PDBe 6XB7

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