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MolNFT v1 · #54418 · RNA

Xpt-pbux C74U riboswitch from B. subtilis bound to N6-methyladenine

2XO1 · Guanine riboswitch: “Xpt-pbux C74U riboswitch from B. subtilis bound to N6-methyladenine”. X-ray diffraction, 3 ligands (NCO, N6M, K), 2 pockets (best druggability 0.72). MolNFT v1 #54418 on GenesisL1: 3D structure, binding sites…

PDB
2XO1
Type
RNA
Length
64 nucleotides
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine riboswitch
Ligands
NCO, N6M, K
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine riboswitchrna64——

Ligands and binding sites

  • NCO · Cobalt hexammine(iii) · ligand · 7 copies · chains A
  • N6M · N-methyl-9H-purin-6-amine · ligand · chains A
  • K · Potassium ion · metal · 3 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18720.720.7838NCO, ACT, K
21180.410.7716N6M

Compared structures

  • 2XO1 · xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine · the same entry in another collection · chain A against A, TM-score 1.00

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