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MolNFT v1 · #39711 · DNA

Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.

2I2I · 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3': “Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex.”. X-ray diffraction, 2 ligands (MBC, MG). MolNFT v1 #39711 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2I2I
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Ligands
MBC, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'dna12——

Ligands and binding sites

  • MBC · 2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1H-benzimidazole-5-carboximidamide · 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 · 570 Ų buried · 60 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2I2I · Crystal structure of the DB293-D(CGCGAATTCGCG)2 complex. · the same entry in another collection · chain A against A, TM-score 1.00

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