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Structural alignment of the (+)-trans-anti-[BP]DG adduct positioned opposite dc at a DNA template-primer junction, NMR, 6 structures

Analyse Structural alignment of the (+)-trans-anti-[BP]DG adduct positioned opposite dc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1AXO
Type
DNA
Length
23 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA duplex D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)
Ligands
BAP

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA duplex D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)dna13——
BDNA duplex D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)dna10——

Ligands and binding sites

  • BAP · 1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene · 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 · 573 Ų buried · 56 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 1AXO · Structural alignment of the (+)-trans-anti-[BP]DG adduct positioned opposite dc at a DNA… · the same entry in another collection · chain A against A, TM-score 1.00

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