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MolNFT v1 · #27013 · DNA

Solution structure of the DNA duplex TGCGCA:TGCGCA capped by trimethoxystilbene residues

1X6W · 5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3': “Solution structure of the DNA duplex TGCGCA:TGCGCA capped by trimethoxystilbene residues”. Solution nmr, 1 ligand (TMS). MolNFT v1 #27013 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1X6W
Type
DNA
Length
12 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3'
Ligands
TMS

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3'dna6——

Ligands and binding sites

  • TMS · N-propyl-4-[(E)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide · ligand · 2 copies · 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 · 315 Ų buried · 35 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 1X6W · Solution Structure of the DNA Duplex TGCGCA:TGCGCA Capped by Trimethoxystilbene Residues · the same entry in another collection · chain A against A, TM-score 1.00

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