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Solution structure for the 1:1 complex of a PLATINUM(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex

Analyse Solution structure for the 1:1 complex of a PLATINUM(II)-based tripod bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z80
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
9F0
Pockets
1 · best druggability 0.38

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AG-quadruplex DNA (26-mer)dna26——

Ligands and binding sites

  • 9F0 · 4-[1-(2,5,8-triazonia-1$L^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$L^4-platinabicyclo[3.3.0]octan-1-yl) pyridin-1-ium-4-yl]phenyl]aniline · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.380.72129F0

Compared structures

  • 5Z80 · Solution structure for the 1:1 complex of a platinum(II)-based tripod bound to a hybrid-1… · the same entry in another collection · chain A against A, TM-score 1.00

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