Complex 6e1t
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 | 1.80 |
| System mass | 10.74 kDa |
| Deposition year | 2018 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Caldanaerobacter |
| RCSB PDB Entry | 6e1t |
| Reference | Connelly Colleen M., Numata Tomoyuki, Boer Robert E., Moon Michelle H., Sinniah Ranu S., Barchi Joseph J., Ferré-D’Amaré Adrian R., Schneekloth John S.. 2019. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure Nature Communications |
| 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 | HLV |
| Residue | . / 102 |
| Chain | C / A |
| Non-redundant | False |
| Interacting RNA chains | A/A |
| RNA environment detailled | ion, other |
| RNA environment global | RNA/Other |
| RNA family chains | A/A: riboswitch |
| RNA family global | riboswitch |
| Volume | 203.74 Å3 |
| Hydrophobicity | 1.087 |
| Hydrophilicity | 0.850 |
| Buriedness | 0.663 |
| Don/acc character | 4.306 |
| SiteScore | 1.043 |
| D Score | 0.907 |
| Kd | — |
| Compound | MES |
| Residue | . / 101 |
| Chain | B / A |
| Non-redundant | True |
| Interacting RNA chains | A/A |
| RNA environment detailled | other |
| RNA environment global | RNA/Other |
| RNA family chains | A/A: riboswitch |
| RNA family global | riboswitch |
| Volume | 24.35 Å3 |
| Hydrophobicity | 0.416 |
| Hydrophilicity | 0.680 |
| Buriedness | 0.530 |
| Don/acc character | 0.754 |
| SiteScore | 0.521 |
| D Score | 0.285 |
| Kd | — |