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

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: 1IEY
Type: DNA
Length: 20 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(P*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 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5'-D(PCPCPAPCPCP(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 · 493 Å² buried · 47 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

1IEY · 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 1IEY · PDBe 1IEY

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