MolNFT v1 · #37984 · RNA
Structure of the S-adenosylmethionine riboswitch mRNA regulatory element
2GIS · SAM-I riboswitch: “Structure of the S-adenosylmethionine riboswitch mRNA regulatory element”. X-ray diffraction, 3 ligands (IRI, SAM, MG), 3 pockets (best druggability 0.79). MolNFT v1 #37984 on GenesisL1: 3D structure, binding…
- PDB
- 2GIS
- Type
- RNA
- Length
- 94 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SAM-I riboswitch
- Ligands
- IRI, SAM, MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SAM-I riboswitch | rna | 94 | — | — |
Ligands and binding sites
- IRI · Iridium hexammine ion · ligand · 4 copies · chains A
- SAM · S-adenosylmethionine · ligand · chains A
- MG · Magnesium 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 | 909 | 0.79 | 0.82 | 57 | MG, IRI, SAM |
| 2 | 205 | 0.44 | 0.74 | 16 | IRI |
| 3 | 63 | 0.26 | 0.73 | 11 | empty |
Compared structures
- 2GIS · Structure of the S-adenosylmethionine riboswitch mRNA regulatory element · 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 2GIS · PDBe 2GIS
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