MolNFT v1 · #54417 · RNA
Xpt-pbux C74U riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening
2XO0 · Guanine riboswitch: “Xpt-pbux C74U riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening”. X-ray diffraction, 3 ligands (NCO, ZZS, K), 2 pockets (best druggability 0.74). MolNFT v1 #54417 on…
- PDB
- 2XO0
- Type
- RNA
- Length
- 64 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine riboswitch
- Ligands
- NCO, ZZS, K
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine riboswitch | rna | 64 | — | — |
Ligands and binding sites
- NCO · Cobalt hexammine(iii) · ligand · 6 copies · chains A
- ZZS · 1,3,5-triazine-2,4-diamine · ligand · chains A
- K · Potassium ion · metal · 5 copies · chains A
- ACT · Acetate ion · additive · 2 copies · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 862 | 0.74 | 0.79 | 38 | ACT, NCO, K |
| 2 | 175 | 0.44 | 0.75 | 19 | ZZS |
Compared structures
- 2XO0 · xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 2XO0 · PDBe 2XO0
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