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The solution structure of an aflatoxin B1 epoxide adduct at the N7 position of guanine opposite an adenine in the complementary strand of an oligodeoxynucleotide duplex, NMR, minimized average structure

Analyse The solution structure of an aflatoxin B1 epoxide adduct at the N7 position of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1AG5
Type
DNA
Length
21 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*C)-3'); DNA…
Ligands
AFN

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*C)-3')dna10——
BDNA (5'-D(*GP*GP*AP*TP*CP*AP*GP*AP*TP*GP*G)-3')dna11——

Ligands and binding sites

  • AFN · 8,9-dihydro-9-hydroxy-aflatoxin B1 · 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 · 444 Ų buried · 51 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 1AG5 · The solution structure of an aflatoxin B1 epoxide adduct at the N7 position of guanine… · the same entry in another collection · chain A against A, TM-score 1.00

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