Research workbench
Crystal structure of the xpt-pbux guanine riboswitch aptamer domain in complex with hypoxanthine
Analyse Crystal structure of the xpt-pbux guanine riboswitch aptamer domain in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FE5
- Type
- RNA
- Length
- 67 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xpt-pbux guanine riboswitch aptamer domain
- Ligands
- NCO, HPA
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Xpt-pbux guanine riboswitch aptamer domain | rna | 67 | — | — |
Ligands and binding sites
- NCO · Cobalt hexammine(iii) · ligand · 6 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 | 829 | 0.70 | 0.77 | 35 | ACT, NCO |
| 2 | 223 | 0.44 | 0.74 | 17 | empty |
Compared structures
- 4FE5 · Crystal structure of the xpt-pbuX guanine riboswitch aptamer domain in complex with… · 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 4FE5 · PDBe 4FE5
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