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The C92U mutant c-di-GMP-I riboswitch bound to pGpA

Analyse The C92U mutant c-di-GMP-I riboswitch bound to pGpA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UD3
Type
protein + RNA
Length
181 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.1
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
U1 small nuclear ribonucleoprotein A; RNA (92-mer); RNA (5'-R(P*GP*A)-3')
UniProt
P09012
Ligands
MG
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · resolution 3.1 · 3 distinct chains · 25% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PU1 small nuclear ribonucleoprotein Aprotein8725% helix, 21% strandP09012
RRNA (92-mer)rna92——
ARNA (5'-R(P*GP*A)-3')rna2——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains R

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17150.700.7848empty
25410.660.7832empty
34150.580.7628MG

Interfaces

2 interfaces between chains.

  • P–R · 989 Ų buried · 23 hydrogen bonds · protein-nucleic
  • R–A · 485 Ų buried · 23 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 3UD3 · The C92U mutant C-di-gmp-I riboswitch bound to pgpa · the same entry in another collection · chain P against P, TM-score 1.00
  • P09012 · AlphaFold monomer V2.0 prediction for U1 small nuclear ribonucleoprotein a (P09012) · a predicted model of the same protein · chain P against A, TM-score 0.98

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