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MolNFT v1 · #169576 · DNA

Self-assembly of a 3D DNA crystal lattice (4X5 junction version) containing the J33 immobile holliday junction

6XGN · DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*G)-3'): “Self-assembly of a 3D DNA crystal lattice (4X5 junction version) containing the J33 immobile holliday junction”. X-ray diffraction, 1 pocket (best druggability 0.26). MolNFT v1…

PDB
6XGN
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*GP*CP*AP*GP*AP*CP*TP*TP*G)-3'); DNA…
Pockets
1 · best druggability 0.26

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*G)-3')dna11——
BDNA (5'-D(P*AP*CP*AP*GP*CP*AP*CP*TP*CP*A)-3')dna10——
CDNA (5'-D(P*CP*AP*TP*GP*T)-3')dna5——
DDNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*AP*GP*TP*CP*TP*GP*C)- 3')dna16——

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.260.728empty

Interfaces

5 interfaces between chains.

  • A–D · 332 Ų buried · 25 hydrogen bonds · nucleic-nucleic
  • B–D · 315 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • C–D · 235 Ų buried · 9 hydrogen bonds · nucleic-nucleic
  • B–C · 159 Ų buried · 14 hydrogen bonds · nucleic-nucleic
  • A–C · 90 Ų buried · 6 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6XGN · Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J33… · the same entry in another collection · chain A against A, TM-score 1.00

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