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Crystallization of the thermotoga maritima lysine riboswitch bound to N6-1-iminoethyl-L-lysine

Analyse Crystallization of the thermotoga maritima lysine riboswitch bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DIR
Type
RNA
Length
174 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (174-mer)
Ligands
IEL, NA, K
Pockets
7 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA (174-mer)rna174——

Ligands and binding sites

  • IEL · N~6~-[(1Z)-ethanimidoyl]-L-lysine · ligand · chains A
  • NA · Sodium ion · metal · 11 copies · chains A
  • K · Potassium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19590.710.7756NA
27700.710.7844NA
33480.500.7325NA
42930.500.7419empty
51090.370.7616empty

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 3DIR · Crystallization of the Thermotoga maritima lysine riboswitch bound to… · the same entry in another collection · chain A against A, TM-score 1.00

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