MolNFT v1 · #54416 · RNA
Xpt-pbux C74U riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening
2XNZ · Guanine riboswitch: “Xpt-pbux C74U riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening”. X-ray diffraction, 3 ligands (NCO, 3AW, K), 2 pockets (best druggability 0.71). MolNFT v1 #54416 on GenesisL1…
- PDB
- 2XNZ
- Type
- RNA
- Length
- 65 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine riboswitch
- Ligands
- NCO, 3AW, K
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine riboswitch | rna | 65 | — | — |
Ligands and binding sites
- NCO · Cobalt hexammine(iii) · ligand · 6 copies · chains A
- 3AW · 6-methyl-1,3,5-triazine-2,4-diamine · ligand · chains A
- K · Potassium ion · metal · 6 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.71 | 0.77 | 37 | NCO, ACT, K |
| 2 | 162 | 0.43 | 0.75 | 17 | 3AW |
Compared structures
- 2XNZ · xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine identified by virtual… · 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 2XNZ · PDBe 2XNZ
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