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MolNFT v1 · #91350 · RNA

Structure of oceanobacillus iheyensis group II intron in the presence of K+, MG2+ and 5'-exon

4FAR · Group iic intron: “Structure of oceanobacillus iheyensis group II intron in the presence of K+, MG2+ and 5'-exon”. X-ray diffraction, 3 ligands (SPM, MG, K), 16 pockets (best druggability 0.65). MolNFT v1 #91350 on GenesisL1: 3D…

PDB
4FAR
Type
RNA
Length
394 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Group iic intron
Ligands
SPM, MG, K
Pockets
16 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGroup iic intronrna389——
BGroup iic intronrna5——

Ligands and binding sites

  • SPM · Spermine · ligand · 2 copies · chains A
  • MG · Magnesium ion · metal · 30 copies · chains A, B
  • K · Potassium ion · metal · 19 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

16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16790.650.7545MG, K, EPE
22950.650.8227empty
36300.630.7542MG, K
42580.630.8228MG
52230.620.8331MG

Interfaces

1 interface between chains.

  • A–B · 486 Ų buried · 29 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4FAR · Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and… · the same entry in another collection · chain A against A, TM-score 1.00

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