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The solution structure of a bay-region 1R-BENZ[A]ANTHRACENE oxide adduct at the N6 position of adenine of an oligodeoxynucleotide containing the human N-RAS codon 61 sequence

Analyse The solution structure of a bay-region 1R-BENZ[A]ANTHRACENE oxide adduct at the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QBY
Type
DNA
Length
22 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3'; 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP* G)-3'
Ligands
BZA

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*CP*GP*GP*AP*CP*(BZA)AP*AP*GP*AP*AP*G)-3'dna11——
B5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP* G)-3'dna11——

Ligands and binding sites

  • BZA · 1R,2S,3R,4S-tetrahydro-benzo[a]anthracene-2,3,4-triol · 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 · 485 Ų buried · 53 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 1QBY · The solution structure of a bay-region 1R-BENZ[A]ANTHRACENE oxide adduct at the N6… · the same entry in another collection · chain A against A, TM-score 1.00

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