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NMR solution structure of the 1:1 complex of a pyridostatin (pds) bound to a G-quadruplex MYT1L

Analyse NMR solution structure of the 1:1 complex of a pyridostatin (pds) bound to a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7X3A
Type: DNA
Length: 29 nucleotides
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: G-quadruplex DNA MYT1L
Ligands: 7V8
Pockets: 1 · best druggability 0.25

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	G-quadruplex DNA MYT1L	dna	29	—	—

Ligands and binding sites

7V8 · 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy) quinolin-2-yl]pyridine-2,6-dicarboxamide · 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	55	0.25	0.73	7	7V8

Compared structures

7X3A · NMR solution structure of the 1:1 complex of a pyridostatin (PDS) bound to a G-quadruplex… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 7X3A · PDBe 7X3A

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