MolNFT v1 · #16507 · RNA
Theophylline-binding RNA in complex with theophylline, NMR, regularized mean structure, refinement with torsion angle and base- base positional database potentials and dipolar couplings
1O15: “Theophylline-binding RNA in complex with theophylline, NMR, regularized mean structure, refinement with…”. Solution nmr, 1 ligand (TEP), 2 pockets (best druggability 0.31). MolNFT v1 #16507 on GenesisL1: 3D structure, binding sites…
- PDB
- 1O15
- Type
- RNA
- Length
- 33 nucleotides
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Theophylline-binding RNA
- Ligands
- TEP
- Pockets
- 2 · best druggability 0.31
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Theophylline-binding RNA | rna | 33 | — | — |
Ligands and binding sites
- TEP · Theophylline · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.31 | 0.72 | 13 | empty |
| 2 | 65 | 0.30 | 0.75 | 10 | empty |
Compared structures
- 1O15 · Theophylline-binding RNA in complex with theophylline, NMR, regularized mean structure… · 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 1O15 · PDBe 1O15
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