Complex 7tzr
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 | 2.70 |
| System mass | 52.52 kDa |
| Deposition year | 2022 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Escherichia |
| RCSB PDB Entry | 7tzr |
| Reference | Zeller Meredith J., Favorov Oleg, Li Kelin, Nuthanakanti Ashok, Hussein Dina, Michaud Auréliane, Lafontaine Daniel A., Busan Steven, Serganov Alexander, Aubé Jeffrey, Weeks Kevin M.. 2022. SHAPE-enabled fragment-based ligand discovery for RNA Proceedings of the National Academy of Sciences |
| Equivalence Class |
NR_all_42241.5
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 | KWU |
| Residue | . / 101 |
| Chain | C / X |
| Non-redundant | True |
| Interacting RNA chains | A/X |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/X: riboswitch |
| RNA family global | riboswitch |
| Volume | 402.00 Å3 |
| Hydrophobicity | 0.710 |
| Hydrophilicity | 0.988 |
| Buriedness | 0.799 |
| Don/acc character | 1.337 |
| SiteScore | 1.216 |
| D Score | 1.083 |
| Kd | — |
| Compound | KWU |
| Residue | . / 101 |
| Chain | G / Y |
| Non-redundant | True |
| Interacting RNA chains | B/Y |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | B/Y: riboswitch |
| RNA family global | riboswitch |
| Volume | 423.61 Å3 |
| Hydrophobicity | 0.553 |
| Hydrophilicity | 1.004 |
| Buriedness | 0.760 |
| Don/acc character | 1.577 |
| SiteScore | 1.199 |
| D Score | 1.069 |
| Kd | — |