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RNA octamer containing glycol nucleic acid, sgnt

Analyse RNA octamer containing glycol nucleic acid, sgnt in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5V2H
Type
RNA
Length
28 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3')
Ligands
ZTH, NCO, MG
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3')rna7——

Ligands and binding sites

  • ZTH · (S)-1'-(2',3'-dihydroxypropyl)-thymine · ligand · 4 copies · chains A, B, C, D
  • NCO · Cobalt hexammine(iii) · ligand · chains A, B, C, D
  • MG · Magnesium ion · metal · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.330.7217NCO, MG

Interfaces

6 interfaces between chains.

  • C–D · 414 Ų buried · 31 hydrogen bonds · nucleic-nucleic
  • A–B · 403 Ų buried · 30 hydrogen bonds · nucleic-nucleic
  • B–C · 108 Ų buried · 3 hydrogen bonds · nucleic-nucleic
  • A–D · 102 Ų buried · 2 hydrogen bonds · nucleic-nucleic
  • A–C · 39 Ų buried · 1 hydrogen bond · nucleic-nucleic

Modifications

Observed in the structure: 8 covalent, 4 modified (covalent ligand, nucleotide modification).

Compared structures

  • 5V2H · RNA octamer containing glycol nucleic acid, SgnT · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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