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MolNFT v1 · #57093 · DNA

Meta-hydroxy analogue of hoechst 33258 ('hydroxyl in' conformation) bound to D(CGCGAATTCGCG)2

302D · DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3'): “Meta-hydroxy analogue of hoechst 33258 ('hydroxyl in' conformation) bound to D(CGCGAATTCGCG)2”. X-ray diffraction, 2 ligands (RO2, MG). MolNFT v1 #57093 on GenesisL1: 3D…

PDB
302D
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
RO2, 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

  • RO2 · 3-[5-[5-(4-methyl-piperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol · ligand · chains A, B
  • MG · Magnesium ion · metal · chains A

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

Interfaces

1 interface between chains.

  • A–B · 563 Ų buried · 50 hydrogen bonds · nucleic-nucleic

Compared structures

  • 302D · Meta-hydroxy analogue of hoechst 33258 ('hydroxyl in' conformation) bound to… · the same entry in another collection · chain A against A, TM-score 1.00

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