MolNFT v1 · #23647 · DNA

Solution structure of an oligodeoxynucleotide containing a butadiene derived N1 B-hydroxyalkyl adduct on deoxyinosine in the human N-RAS codon 61 sequence

1U6N · 5'-D(*CP*GP*GP*AP*CP*(2BD)P*AP*GP*AP*AP*G)-3': “Solution structure of an oligodeoxynucleotide containing a butadiene derived N1 B-hydroxyalkyl adduct on…”. Solution nmr, 1 pocket (best druggability 0.30). MolNFT v1 #23647 on…

PDB: 1U6N
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*(2BD)P*AP*GP*AP*AP*G)-3'; 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
Pockets: 1 · best druggability 0.30

Structure

solution nmr · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(CPGPGPAPCP(2BD)PAPGPAPAP*G)-3'	dna	11	—	—
B	5'-D(CPTPTPCPTPTPGPTPCPCP*G)-3'	dna	11	—	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	83	0.30	0.73	10	empty

Interfaces

1 interface between chains.

A–B · 493 Å² buried · 43 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

1U6N · Solution Structure of an Oligodeoxynucleotide Containing a Butadiene Derived N1… · 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 1U6N · PDBe 1U6N

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