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Class II ligase ribozyme product-template duplex, structure 1

Analyse Class II ligase ribozyme product-template duplex, structure 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FTM
Type
RNA
Length
46 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*GP*UP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3'; 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*CP*A)-3'
Ligands
MG, K
Pockets
2 · best druggability 0.26

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C5'-R(*GP*UP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3'rna11——
B, D5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*CP*A)-3'rna12——

Ligands and binding sites

  • MG · Magnesium ion · metal · 9 copies · chains A, B, D, C
  • K · Potassium ion · metal · 2 copies · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.260.739MG
2500.210.7212empty

Interfaces

5 interfaces between chains.

  • C–D · 623 Ų buried · 53 hydrogen bonds · nucleic-nucleic
  • A–B · 606 Ų buried · 54 hydrogen bonds · nucleic-nucleic
  • B–C · 145 Ų buried · 8 hydrogen bonds · nucleic-nucleic
  • B–D · 115 Ų buried · 3 hydrogen bonds · nucleic-nucleic
  • A–D · 72 Ų buried · 1 hydrogen bond · nucleic-nucleic

Compared structures

  • 3FTM · Class II ligase ribozyme product-template duplex, structure 1 · the same entry in another collection · chain A against A, TM-score 1.00

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