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MolNFT v1 · #1410 · DNA

Binding of ar-1-144, a tri-imidazole DNA minor groove binder, to ccgg sequence analyzed by NMR spectroscopy

1B0S · DNA (5'-D(*GP*AP*AP*CP*CP*GP*GP*TP*TP*C)-3'): “Binding of ar-1-144, a tri-imidazole DNA minor groove binder, to ccgg sequence analyzed by NMR spectroscopy”. Solution nmr, 1 ligand (AR1). MolNFT v1 #1410 on GenesisL1: 3D structure…

PDB
1B0S
Type
DNA
Length
20 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*AP*AP*CP*CP*GP*GP*TP*TP*C)-3')
Ligands
AR1

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*GP*AP*AP*CP*CP*GP*GP*TP*TP*C)-3')dna10——

Ligands and binding sites

  • AR1 · (2-{[4-({4-[(4-formylamino-1-methyl-1H-imidazole-2-carbonyl)-amino]-1-methyl-1H-imidazole-2-carbonyl}-amino)-1-methyl-1 H-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium · ligand · 2 copies · 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 · 430 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1B0S · Binding of ar-1-144, a tri-imidazole DNA minor groove binder, to ccgg sequence analyzed… · the same entry in another collection · chain A against A, TM-score 1.00

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