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MolNFT v1 · #124930 · DNA

Mis-pairing of unnatural base Z-G DNA duplex at pH 8.5

5KTV · DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*(1W5)P*GP*CP*G)-3'): “Mis-pairing of unnatural base Z-G DNA duplex at pH 8.5”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #124930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KTV
Type
DNA
Length
22 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*(1W5)P*GP*CP*G)-3')
Ligands
CA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*(1W5)P*GP*CP*G)-3')dna11——

Ligands and binding sites

  • CA · Calcium ion · metal · 9 copies · 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 · 465 Ų buried · 38 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 5KTV · Mis-pairing of unnatural base Z-G DNA duplex at pH 8.5 · the same entry in another collection · chain A against A, TM-score 1.00

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