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Self-assembly of a 3D DNA crystal lattice (4X6 scramble junction version) containing the J16 immobile holliday junction with R3 symmetry

Analyse Self-assembly of a 3D DNA crystal lattice (4X6 scramble junction version)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JJ3
Type
DNA
Length
42 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*A)-3'); DNA…
Ligands
MG, CAC

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*A)-3')dna12——
BDNA (5'-D(P*CP*GP*CP*CP*GP*AP*CP*TP*C)-3')dna9——
CDNA (5'-D(P*TP*CP*AP*GP*CP*G)-3')dna6——
DDNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*CP*TP*GP*TP*CP*GP*T)- 3')dna15——

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, D, B, C
  • CAC · Cacodylate ion · metal · 2 copies · chains C, D

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

Interfaces

5 interfaces between chains.

  • A–D · 348 Ų buried · 36 hydrogen bonds · nucleic-nucleic
  • B–D · 281 Ų buried · 27 hydrogen bonds · nucleic-nucleic
  • C–D · 256 Ų buried · 7 hydrogen bonds · nucleic-nucleic
  • B–C · 169 Ų buried · 16 hydrogen bonds · nucleic-nucleic
  • A–C · 144 Ų buried · 11 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7JJ3 · Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the… · the same entry in another collection · chain A against A, TM-score 1.00

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