Complex 9bun
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 | 2.10 |
| System mass | 68.49 kDa |
| Deposition year | 2024 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | N/A |
| RCSB PDB Entry | 9bun |
| Reference | Siwik Shea H, Wierzba Aleksandra J, Lennon Shelby R, Olenginski Lukasz T, Palmer Amy E, Batey Robert T. 2025. Structural basis for ring-opening fluorescence by the RhoBAST RNA aptamer Nucleic Acids Research |
| Equivalence Class |
NR_all_17047.4
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 | FH8 |
| Residue | . / 104 |
| Chain | H / A |
| Non-redundant | True |
| Interacting RNA chains | A/A |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/A: aptamer_rna |
| RNA family global | aptamer_rna |
| Volume | 61.40 Å3 |
| Hydrophobicity | 0.526 |
| Hydrophilicity | 0.911 |
| Buriedness | 0.540 |
| Don/acc character | 1.713 |
| SiteScore | 0.702 |
| D Score | 0.506 |
| Kd | — |
| Compound | FH8 |
| Residue | . / 105 |
| Chain | M / B |
| Non-redundant | False |
| Interacting RNA chains | B/B |
| RNA environment detailled | ion |
| RNA environment global | RNA |
| RNA family chains | B/B: aptamer_rna |
| RNA family global | aptamer_rna |
| Volume | 79.23 Å3 |
| Hydrophobicity | 0.702 |
| Hydrophilicity | 1.046 |
| Buriedness | 0.615 |
| Don/acc character | 3.038 |
| SiteScore | 0.735 |
| D Score | 0.507 |
| Kd | — |
| Compound | FH8 |
| Residue | . / 106 |
| Chain | S / C |
| Non-redundant | False |
| Interacting RNA chains | C/C |
| RNA environment detailled | ion |
| RNA environment global | RNA |
| RNA family chains | C/C: aptamer_rna |
| RNA family global | aptamer_rna |
| Volume | 85.41 Å3 |
| Hydrophobicity | 0.959 |
| Hydrophilicity | 0.944 |
| Buriedness | 0.594 |
| Don/acc character | 3.054 |
| SiteScore | 0.858 |
| D Score | 0.679 |
| Kd | — |
| Compound | FH8 |
| Residue | . / 104 |
| Chain | W / D |
| Non-redundant | False |
| Interacting RNA chains | D/D |
| RNA environment detailled | ion |
| RNA environment global | RNA |
| RNA family chains | D/D: aptamer_rna |
| RNA family global | aptamer_rna |
| Volume | 86.78 Å3 |
| Hydrophobicity | 0.433 |
| Hydrophilicity | 0.837 |
| Buriedness | 0.545 |
| Don/acc character | 1.953 |
| SiteScore | 0.632 |
| D Score | 0.533 |
| Kd | — |