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MolNFT v1 · #89890 · DNA

Interactions of BA2+ with a non-self-complementary Z-type DNA duplex

4E2R · DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'): “Interactions of BA2+ with a non-self-complementary Z-type DNA duplex”. X-ray diffraction, 1 ligand (BA). MolNFT v1 #89890 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4E2R
Type
DNA
Length
12 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'); DNA (5'-D(*CP*GP*CP*GP*TP*G)-3')
Ligands
BA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*AP*CP*GP*CP*G)-3')dna6——
BDNA (5'-D(*CP*GP*CP*GP*TP*G)-3')dna6——

Ligands and binding sites

  • BA · Barium 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 · 324 Ų buried · 23 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4E2R · Interactions of Ba2+ with a non-self-complementary Z-type DNA duplex · the same entry in another collection · chain A against A, TM-score 1.00

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