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MolNFT v1 · #64777 · DNA

An inverted anthraquinone-DNA crystal structure

3GDD · 5'-D(*(BRU)P*AP*GP*G)-3': “An inverted anthraquinone-DNA crystal structure”. X-ray diffraction, 2 ligands (5BD, MG). MolNFT v1 #64777 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3GDD
Type
DNA
Length
8 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*(BRU)P*AP*GP*G)-3'
Ligands
5BD, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*(BRU)P*AP*GP*G)-3'dna4——

Ligands and binding sites

  • 5BD · N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] · ligand · 4 copies · chains A, B
  • MG · Magnesium ion · metal

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

Interfaces

1 interface between chains.

  • A–B · 171 Ų buried · 2 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 3GDD · An inverted anthraqui -DNA crystal structure · the same entry in another collection · chain A against A, TM-score 1.00

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