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Solution structure of the DNA duplex D(CCACCGGAAC).(GTTCCGGTGG) with a chiral alkyl-phosphonate moiety (diaestereoisomer S)

Analyse Solution structure of the DNA duplex D(CCACCGGAAC).(GTTCCGGTGG) with a chiral… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1IEK
Type: DNA
Length: 20 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: NOT
Molecule: 5'-D(*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3'; 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3'

Structure

solution nmr · resolution NOT · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(CPCPAPCPCP(OCT)GPGPAPAPC)-3'	dna	10	—	—
B	5'-D(GPTPTPCPCPGPGPTPGPG)-3'	dna	10	—	—

Ligands and binding sites

OCT · N-octane · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

A–B · 446 Å² buried · 46 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

1IEK · Solution structure of the DNA duplex D(CCACCGGAAC).(GTTCCGGTGG) with a chiral… · 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 1IEK · PDBe 1IEK

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