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MolNFT v1 · #142356 · DNA

Crystal structures of disordered Z-type helices

6A1Q · DNA (5'-D(P*TP*GP*TP*G)-3'): “Crystal structures of disordered Z-type helices”. X-ray diffraction, 1 pocket (best druggability 0.39). MolNFT v1 #142356 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6A1Q
Type
DNA
Length
24 nucleotides
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(P*TP*GP*TP*G)-3'); DNA (5'-D(P*CP*AP*CP*A)-3')
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EDNA (5'-D(P*TP*GP*TP*G)-3')dna4——
B, D, FDNA (5'-D(P*CP*AP*CP*A)-3')dna4——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.390.7519empty

Interfaces

5 interfaces between chains.

  • C–D · 225 Ų buried · 22 hydrogen bonds · nucleic-nucleic
  • E–F · 225 Ų buried · 21 hydrogen bonds · nucleic-nucleic
  • A–B · 222 Ų buried · 20 hydrogen bonds · nucleic-nucleic
  • C–F · 120 Ų buried · 1 hydrogen bond · nucleic-nucleic
  • B–C · 65 Ų buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6A1Q · Crystal structures of disordered Z-type helices · the same entry in another collection · chain A against A, TM-score 1.00

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