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MolNFT v1 · #145225 · RNA

Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2S state)

6CHR · RNA (621-mer): “Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2S state)”. X-ray diffraction, 3 ligands (SPM, MG, NA), 20 pockets (best druggability 0.73). MolNFT v1 #145225 on GenesisL1: 3D…

PDB
6CHR
Type
RNA
Length
633 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (621-mer); RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*A)-3')
Ligands
SPM, MG, NA
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (621-mer)rna620——
BRNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*A)-3')rna13——

Ligands and binding sites

  • SPM · Spermine · ligand · chains A
  • MG · Magnesium ion · metal · 82 copies · chains A, B
  • NA · Sodium ion · metal · 9 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15480.730.8247MG
27280.730.8053NA, MG
34840.700.8151MG
44760.680.8035MG
55210.670.7942empty

Interfaces

1 interface between chains.

  • A–B · 1109 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6CHR · Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2s state) · the same entry in another collection · chain A against A, TM-score 1.00

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