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MolNFT v1 · #30225 · RNA

Molecular recognition of RNA by neomycin and a restricted neomycin derivative

1ZX7 · 5'- R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3': “Molecular recognition of RNA by neomycin and a restricted neomycin derivative”. X-ray diffraction, 6 pockets (best druggability 0.54). MolNFT v1 #30225 on GenesisL1: 3D…

PDB
1ZX7
Type
RNA
Length
116 nucleotides
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3'…
Pockets
6 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G5'- R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3'rna15——
B, D, F, H5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)- 3'rna14——

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.540.7328empty
23870.510.7327empty
33720.500.7324empty
43610.500.7223empty
5580.280.7510empty

Interfaces

19 interfaces between chains.

  • E–F · 712 Ų buried · 67 hydrogen bonds · nucleic-nucleic
  • C–D · 707 Ų buried · 65 hydrogen bonds · nucleic-nucleic
  • G–H · 696 Ų buried · 70 hydrogen bonds · nucleic-nucleic
  • A–B · 691 Ų buried · 77 hydrogen bonds · nucleic-nucleic
  • E–G · 101 Ų buried · 2 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1ZX7 · Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative · the same entry in another collection · chain A against A, TM-score 1.00

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