Complex 8i45
Legend
Pocket colors by molecule type
RNA
Protein
DNA
These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).
System information
| Experimental technique | Solution NMR |
| Experimental resolution | N/A |
| System mass | 6.53 kDa |
| Deposition year | 2023 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Mus |
| RCSB PDB Entry | 8i45 |
| Reference | Ichijo Rika, Kamimura Takashi, Kawai Gota. 2023. Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3′ adjacent to the bulged residues Frontiers in Molecular Biosciences |
| Equivalence Class |
NR_all_64698.3
BGSU version: 4.52 |
Pockets List
Legend
Cell colors for SiteScore and D Score:
Favourable
Intermediate
Unfavourable
Not available
| Score | Threshold | Meaning |
|---|---|---|
| SiteScore | < 0.8 | Non-drug binding site |
| SiteScore | 0.8 – 1.0 | Potential drug binding site |
| SiteScore | > 1.0 | Promising binding site |
| D Score | < 0.83 | Undruggable |
| D Score | 0.83 – 0.98 | Difficult |
| D Score | > 0.98 | Druggable |
Tick a pocket below to highlight it in the 3D structure above.
| Compound | 53D |
| Residue | . / 20 |
| Chain | B / A |
| Non-redundant | True |
| Interacting RNA chains | A/A |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/A: unknown |
| RNA family global | unknown |
| Volume | 79.92 Å3 |
| Hydrophobicity | 1.600 |
| Hydrophilicity | 0.625 |
| Buriedness | 0.622 |
| Don/acc character | 1.926 |
| SiteScore | 0.904 |
| D Score | 0.756 |
| Kd | — |