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NMR solution structure of the 1:1 complex of TEL26 G-quadruplex and a tripodal cationic fluorescent probe nbte

Analyse NMR solution structure of the 1:1 complex of TEL26 G-quadruplex and a tripodal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6KFI
Type: DNA
Length: 26 nucleotides
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: G-quadruplex DNA (26-mer)
Ligands: D6F
Pockets: 1 · best druggability 0.32

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	G-quadruplex DNA (26-mer)	dna	26	—	—

Ligands and binding sites

D6F · 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide · 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	81	0.32	0.74	7	empty

Compared structures

6KFI · NMR solution structure of the 1:1 complex of Tel26 G-quadruplex and a tripodal cationic… · 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 6KFI · PDBe 6KFI

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