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MolNFT v1 · #143145 · DNA

Crystal structure of Z-DNA with 6-fold TWINNING_Z4A

6AQW · DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'): “Crystal structure of Z-DNA with 6-fold TWINNING_Z4A”. X-ray diffraction, 2 pockets (best druggability 0.53). MolNFT v1 #143145 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AQW
Type
DNA
Length
48 nucleotides
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HDNA (5'-D(*CP*GP*CP*GP*CP*G)-3')dna6——

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13980.530.7329empty
22440.480.7518empty

Interfaces

6 interfaces between chains.

  • A–B · 324 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • G–H · 323 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • E–F · 323 Ų buried · 22 hydrogen bonds · nucleic-nucleic
  • C–D · 323 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • B–C · 120 Ų buried · 4 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6AQW · Crystal Structure of Z-DNA with 6-fold Twinning_Z4A · the same entry in another collection · chain A against A, TM-score 1.00

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