MolNFT v1 · #15336 · DNA

Structure of mispairing of the deoxycytosine with deoxyadenosine 5' to the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B1 adduct

1N1N · 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3': “Structure of mispairing of the deoxycytosine with deoxyadenosine 5' to the…”. Solution nmr, 1 ligand (AFN). MolNFT v1 #15336 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1N1N
Type: DNA
Length: 20 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'; 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'
Ligands: AFN

Structure

solution nmr · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(APCPAPTPCPGPAPTPCPT)-3'	dna	10	—	—
B	5'-D(APGPAPTPCPAPAPTPGPT)-3'	dna	10	—	—

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 · 433 Å² buried · 36 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

1N1N · Structure of Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1N1N · PDBe 1N1N

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