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MolNFT v1 · #81665 · DNA

Crystal structure of an intramolecular human telomeric DNA G- quadruplex bound by the naphthalene diimide compound, MM41

3UYH · Human telomeric DNA sequence: “Crystal structure of an intramolecular human telomeric DNA G- quadruplex bound by the naphthalene diimide…”. X-ray diffraction, 2 ligands (0DX, K), 1 pocket (best druggability 0.26). MolNFT v1 #81665…

PDB
3UYH
Type
DNA
Length
21 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Human telomeric DNA sequence
Ligands
0DX, K
Pockets
1 · best druggability 0.26

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AHuman telomeric DNA sequencedna21——

Ligands and binding sites

  • 0DX · 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone · ligand · chains A
  • K · Potassium ion · metal · 3 copies · 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
1520.260.747empty

Compared structures

  • 3UYH · Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the… · the same entry in another collection · chain A against A, TM-score 1.00

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