Complex 3q50
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 | X-ray |
| Experimental resolution | 2.75 |
| System mass | 11.16 kDa |
| Deposition year | 2010 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | N/A |
| RCSB PDB Entry | 3q50 |
| Reference | Jenkins Jermaine L., Krucinska Jolanta, McCarty Reid M., Bandarian Vahe, Wedekind Joseph E.. 2011. Comparison of a PreQ1 Riboswitch Aptamer in Metabolite-bound and Free States with Implications for Gene Regulation Journal of Biological Chemistry |
| Equivalence Class |
NR_all_80276.6
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 | PRF |
| Residue | . / 34 |
| Chain | B / A |
| Non-redundant | False |
| Interacting RNA chains | A/A |
| RNA environment detailled | ion |
| RNA environment global | RNA |
| RNA family chains | A/A: riboswitch |
| RNA family global | riboswitch |
| Volume | 132.74 Å3 |
| Hydrophobicity | 0.887 |
| Hydrophilicity | 0.921 |
| Buriedness | 0.660 |
| Don/acc character | 1.433 |
| SiteScore | 0.872 |
| D Score | 0.683 |
| Kd | 2.05nM |