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NMR and restrained molecular dynamics determination of the structure of an aza-benzimidazole derivative complex with the DNA minor groove of an -aagata- sequence

Analyse NMR and restrained molecular dynamics determination of the structure of an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ASF
Type
DNA
Length
18 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'); DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3')

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3')dna9——
BDNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3')dna9——

Interfaces

1 interface between chains.

  • A–B · 418 Ų buried · 33 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6ASF · NMR and Restrained Molecular Dynamics Determination of the Structure of an… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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