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MolNFT v1 · #56026 · DNA

NMR structure of the iq-modified dodecamer CTCG[IQ]GCGCCATC

2Z2H · DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)…: “NMR structure of the iq-modified dodecamer CTCG[IQ]GCGCCATC”. Solution nmr, 1 ligand (GIQ). MolNFT v1 #56026 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2Z2H
Type
DNA
Length
24 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)- 3'); DNA…
Ligands
GIQ

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)- 3')dna12——
BDNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)- 3')dna12——

Ligands and binding sites

  • GIQ · 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine · ligand · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 551 Ų buried · 71 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 2Z2H · NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC · the same entry in another collection · chain A against A, TM-score 1.00

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