MolNFT v1 · #91479 · RNA
Crystal structure of the A24U mutant xpt-pbux guanine riboswitch aptamer domain in complex with hypoxanthine
4FEJ · A24U mutant of the B. subtilis xpt-pbux guanine riboswitch…: “Crystal structure of the A24U mutant xpt-pbux guanine riboswitch aptamer domain in complex with hypoxanthine”. X-ray diffraction, 2 ligands (NCO, HPA), 2 pockets (best…
- PDB
- 4FEJ
- Type
- RNA
- Length
- 67 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A24U mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain
- Ligands
- NCO, HPA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | A24U mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain | rna | 67 | — | — |
Ligands and binding sites
- NCO · Cobalt hexammine(iii) · ligand · 7 copies · chains B
- HPA · Hypoxanthine · ligand · chains B
- ACT · Acetate ion · additive · 2 copies · chains B
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 | 872 | 0.72 | 0.78 | 40 | ACT, NCO |
| 2 | 198 | 0.41 | 0.73 | 18 | empty |
Compared structures
- 4FEJ · Crystal structure of the A24U mutant xpt-pbuX guanine riboswitch aptamer domain in… · the same entry in another collection · chain B against B, 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 4FEJ · PDBe 4FEJ
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