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Structure of human pir-miRNA-300 apical loop fused to the ydao riboswitch scaffold

Analyse Structure of human pir-miRNA-300 apical loop fused to the ydao riboswitch… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WTR
Type
RNA
Length
125 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (125-mer)
Ligands
2BA, MG, K, SO4
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (125-mer)rna125——

Ligands and binding sites

  • 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · 2 copies · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A
  • K · Potassium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16790.650.75432BA
24040.530.7322empty
32080.510.7818empty
4610.240.7211empty

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 6WTR · Structure of Human pir-miRNA-300 Apical Loop Fused to the YdaO Riboswitch Scaffold · the same entry in another collection · chain A against A, TM-score 1.00

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