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MolNFT v1 · #91355 · RNA

Structure of oceanobacillus iheyensis group II intron in the presence of K+, MG2+ and a hydrolyzed oligonucleotide fragment

4FAW · Group iic intron: “Structure of oceanobacillus iheyensis group II intron in the presence of K+, MG2+ and a hydrolyzed…”. X-ray diffraction, 3 ligands (SPM, MG, K), 17 pockets (best druggability 0.69). MolNFT v1 #91355 on GenesisL1…

PDB
4FAW
Type
RNA
Length
395 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Group iic intron; 5'-R(*A*UP*UP*UP*AP*UP*UP*A)-3'
Ligands
SPM, MG, K
Pockets
17 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGroup iic intronrna390——
B5'-R(*A*UP*UP*UP*AP*UP*UP*A)-3'rna5——

Ligands and binding sites

  • SPM · Spermine · ligand · chains A
  • MG · Magnesium ion · metal · 32 copies · chains A, B
  • K · Potassium ion · metal · 19 copies · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14530.690.8142MG
24500.660.8033MG
36960.660.7646MG, K
44010.660.8029MG
56750.650.7653MG, K

Interfaces

1 interface between chains.

  • A–B · 387 Ų buried · 24 hydrogen bonds · nucleic-nucleic

Compared structures

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

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