MolNFT v1 · #85828 · RNA
SAM-I riboswitch containing the T. solenopsae kt-23 in complex with S-adenosyl methionine
4AOB: “SAM-I riboswitch containing the T. solenopsae kt-23 in complex with S-adenosyl methionine”. X-ray diffraction, 4 ligands (SAM, BA, K), 2 pockets (best druggability 0.74). MolNFT v1 #85828 on GenesisL1: 3D structure, binding sites…
- PDB
- 4AOB
- Type
- RNA
- Length
- 94 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SAM-I riboswitch
- Ligands
- SAM, BA, K, NA
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SAM-I riboswitch | rna | 94 | — | — |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains A
- BA · Barium ion · metal · 15 copies · chains A
- K · Potassium ion · metal · 8 copies · chains A
- NA · Sodium ion · metal · 4 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.74 | 0.78 | 51 | BA, K, SAM, NA |
| 2 | 556 | 0.63 | 0.76 | 32 | BA, K |
Compared structures
- 4AOB · SAM-I riboswitch containing the T. solenopsae Kt-23 in complex with S- adenosyl methionine · 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 4AOB · PDBe 4AOB
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