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Crystal structure of an E. COLI thi-box riboswitch bound to thiamine monophosphate
Analyse Crystal structure of an E. COLI thi-box riboswitch bound to thiamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HOM
- Type
- RNA
- Length
- 80 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thi-box riboswitch
- Ligands
- TPS, MG, CA
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thi-box riboswitch | rna | 80 | — | — |
Ligands and binding sites
- TPS · Thiamin phosphate · ligand · chains A
- MG · Magnesium ion · metal · 4 copies · chains A
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 650 | 0.69 | 0.78 | 33 | MG, TPS |
| 2 | 100 | 0.33 | 0.74 | 15 | empty |
| 3 | 98 | 0.30 | 0.72 | 11 | empty |
Compared structures
- 2HOM · Crystal structure of an E. coli thi-box riboswitch bound to thiamine monophosphate · 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 2HOM · PDBe 2HOM
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