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Structure of oceanobacillus iheyensis group II intron in a ligand-free state in the presence of tl+ and MG2+

Analyse Structure of oceanobacillus iheyensis group II intron in a ligand-free state in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E8Q
Type
RNA
Length
392 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Group iic intron
Ligands
SPM, MG, TL
Pockets
14 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGroup iic intronrna392——

Ligands and binding sites

  • SPM · Spermine · ligand · chains A
  • MG · Magnesium ion · metal · 30 copies · chains A
  • TL · Thallium (I) ion · metal · 17 copies · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 5 copies · chains A

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19290.760.8064MG
24250.680.8136TL, MG
38480.680.7561TL, MG
46710.650.7661TL, MG
56080.610.7436TL, MG

Compared structures

  • 4E8Q · Structure of Oceanobacillus iheyensis group II intron in a ligand-free state in the… · the same entry in another collection · chain A against A, TM-score 1.00

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