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MolNFT v1 · #74456 · RNA

Crystal structure of glycine riboswitch with single mutation

3OXB · Domain II of glycine riboswitch: “Crystal structure of glycine riboswitch with single mutation”. X-ray diffraction, 1 ligand (MG), 10 pockets (best druggability 0.71). MolNFT v1 #74456 on GenesisL1: 3D structure, binding sites and…

PDB
3OXB
Type
RNA
Length
175 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Domain II of glycine riboswitch
Ligands
MG
Pockets
10 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADomain II of glycine riboswitchrna88——
BDomain II of glycine riboswitchrna87——

Ligands and binding sites

  • MG · Magnesium ion · metal · 28 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15400.710.8139MG
24710.640.7827MG
34040.610.7823MG
43110.490.7323MG
51560.450.7721MG

Interfaces

1 interface between chains.

  • A–B · 1229 Ų buried · 42 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 3 modified (nucleotide modification).

Compared structures

  • 3OXB · Crystal structure of glycine riboswitch with single mutation · the same entry in another collection · chain A against A, TM-score 1.00

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