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MolNFT v1 · #3821 · DNA

DNA dodecamer C-G-C-G-a-a-T-T-C-G-C-G/HOECHST 33258 complex: 0 degrees C, piperazine down

1D44 · DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'): “DNA dodecamer C-G-C-G-a-a-T-T-C-G-C-G/HOECHST 33258 complex: 0 degrees C, piperazine down”. X-ray diffraction, 2 ligands (HT, MG). MolNFT v1 #3821 on GenesisL1: 3D structure…

PDB
1D44
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Ligands
HT, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')dna12——

Ligands and binding sites

  • HT · 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole · ligand · chains A, B
  • MG · Magnesium ion · metal · 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 · 568 Ų buried · 68 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1D44 · DNA dodecamer C-G-C-G-a-a-T-T-C-G-C-G/HOECHST 33258 complex: 0 degrees C, piperazine down · the same entry in another collection · chain A against A, TM-score 1.00

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