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MolNFT v1 · #78861 · RNA

Crystal structure of the 2'- deoxyguanosine riboswitch bound to guanosine-5'-monophosphate

3SLQ · RNA (68-mer): “Crystal structure of the 2'- deoxyguanosine riboswitch bound to guanosine-5'-monophosphate”. X-ray diffraction, 2 ligands (5GP, SO4), 3 pockets (best druggability 0.74). MolNFT v1 #78861 on GenesisL1: 3D structure…

PDB
3SLQ
Type
RNA
Length
136 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (68-mer)
Ligands
5GP, SO4
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRNA (68-mer)rna68——

Ligands and binding sites

  • 5GP · Guanosine-5'-monophosphate · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 7 copies · chains A, B
  • SIN · Succinic acid · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110720.740.78585GP, SO4
210950.700.7656SO4
31760.470.77175GP

Interfaces

1 interface between chains.

  • A–B · 393 Ų buried · 29 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 4 modified (nucleotide modification).

Compared structures

  • 3SLQ · Crystal structure of the 2'- Deoxyguanosine riboswitch bound to guanosine-5'-monophosphate · the same entry in another collection · chain A against A, TM-score 1.00

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