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MolNFT v1 · #19801 · DNA

B-DNA dodecamer cgtgaattcacg complexed with minor groove binder methylproamine

1QV4 · 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3': “B-DNA dodecamer cgtgaattcacg complexed with minor groove binder methylproamine”. X-ray diffraction, 1 ligand (MBB). MolNFT v1 #19801 on GenesisL1: 3D structure, binding sites and…

PDB
1QV4
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
MBB

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

  • MBB · 2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole · ligand · 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 · 55 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1QV4 · B-DNA Dodecamer CGTGAATTCACG complexed with minor groove binder methylproamine · the same entry in another collection · chain A against A, TM-score 1.00

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