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MolNFT v1 · #177802 · DNA

Parallel G-quadruplex structure

7EUC · DNA (5'-D(*TP*TP*GP*GP*GP*G)-3'): “Parallel G-quadruplex structure”. Solution nmr, 1 ligand (PSE). MolNFT v1 #177802 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7EUC
Type
DNA
Length
19 nucleotides
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*TP*TP*GP*GP*GP*G)-3'); DNA (5'-D(P*GP*GP*GP*G)-3'); DNA…
Ligands
PSE

Structure

solution nmr · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*TP*TP*GP*GP*GP*G)-3')dna6——
B, CDNA (5'-D(P*GP*GP*GP*G)-3')dna4——
DDNA (5'-D(P*GP*GP*GP*GP*T)-3')dna5——

Ligands and binding sites

  • PSE · O-phosphoethanolamine · ligand · 6 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

6 interfaces between chains.

  • A–D · 269 Ų buried · 14 hydrogen bonds · nucleic-nucleic
  • A–B · 217 Ų buried · 13 hydrogen bonds · nucleic-nucleic
  • C–D · 212 Ų buried · 13 hydrogen bonds · nucleic-nucleic
  • B–C · 204 Ų buried · 14 hydrogen bonds · nucleic-nucleic
  • A–C · 50 Ų buried · 1 hydrogen bond · nucleic-nucleic

Modifications

Observed in the structure: 6 covalent (covalent ligand).

Compared structures

  • 7EUC · Parallel G-quadruplex structure · the same entry in another collection · chain A against A, TM-score 1.00

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