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MolNFT v1 · #64569 · RNA

Insight into group II intron catalysis from revised crystal structure

3G78: “Insight into group II intron catalysis from revised crystal structure”. X-ray diffraction, 2 ligands (MG, K), 12 pockets (best druggability 0.74). MolNFT v1 #64569 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3G78
Type
RNA
Length
398 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Group II intron; Ligated exon product
Ligands
MG, K
Pockets
12 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGroup II intronrna389——
ZLigated exon productrna9——

Ligands and binding sites

  • MG · Magnesium ion · metal · 51 copies · chains A, Z
  • K · Potassium ion · metal · 26 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15540.740.8349MG
211400.710.7668MG, K
37930.680.7658MG, K
43260.670.8329MG, K
52880.620.8128MG

Interfaces

1 interface between chains.

  • A–Z · 535 Ų buried · 25 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3G78 · Insight into group II intron catalysis from revised crystal structure · the same entry in another collection · chain A against A, TM-score 1.00

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