Complex 6va4
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 | 7.08 kDa |
| Deposition year | 2019 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Homo |
| RCSB PDB Entry | 6va4 |
| Reference | Chen Jonathan L., Zhang Peiyuan, Abe Masahito, Aikawa Haruo, Zhang Liying, Frank Alexander J., Zembryski Timothy, Hubbs Christopher, Park HaJeung, Withka Jane, Steppan Claire, Rogers Lucy, Cabral Shawn, Pettersson Martin, Wager Travis T., Fountain Matthew A., Rumbaugh Gavin, Childs-Disney Jessica L., Disney Matthew D.. 2020. Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing Journal of the American Chemical Society |
| Equivalence Class |
NR_all_70322.1
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 | QSY |
| Residue | . / 101 |
| Chain | C / B |
| Non-redundant | True |
| Interacting RNA chains | B/B, A/A |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/A: mRNA, B/B: mRNA |
| RNA family global | mRNA |
| Volume | 120.39 Å3 |
| Hydrophobicity | 0.738 |
| Hydrophilicity | 0.534 |
| Buriedness | 0.553 |
| Don/acc character | 3.683 |
| SiteScore | 0.980 |
| D Score | 0.880 |
| Kd | — |