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MolNFT v1 · #84951 · DNA

5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4- ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi- benzimidazole

403D · DNA (5'-D(*CP*GP*CP*(IGU) P*AP*AP*TP*TP*TP*GP*CP*G)-3'): “5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4- ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi…”. X-ray diffraction, 2 ligands (HT1, MG). MolNFT v1 #84951 on…

PDB
403D
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*(IGU) P*AP*AP*TP*TP*TP*GP*CP*G)-3')
Ligands
HT1, MG

Structure

x-ray diffraction · 1 distinct chain.

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

Ligands and binding sites

  • HT1 · 2'-(4-ethoxyphenyl)-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 · 561 Ų buried · 62 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 403D · 5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3'… · the same entry in another collection · chain A against A, TM-score 1.00

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