Complex 3npq
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 | 2.18 |
| System mass | 56.04 kDa |
| Deposition year | 2010 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Ralstonia |
| RCSB PDB Entry | 3npq |
| Reference | Edwards Andrea L., Reyes Francis E., Héroux Annie, Batey Robert T.. 2010. Structural basis for recognition ofS-adenosylhomocysteine by riboswitches RNA |
| Equivalence Class |
NR_all_83027.3
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 | SAH |
| Residue | . / 55 |
| Chain | D / A |
| Non-redundant | True |
| Interacting RNA chains | A/A |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/A: riboswitch |
| RNA family global | riboswitch |
| Volume | 153.66 Å3 |
| Hydrophobicity | 0.764 |
| Hydrophilicity | 0.750 |
| Buriedness | 0.649 |
| Don/acc character | 3.416 |
| SiteScore | 0.999 |
| D Score | 0.861 |
| Kd | — |
| Compound | SAH |
| Residue | . / 55 |
| Chain | J / B |
| Non-redundant | False |
| Interacting RNA chains | B/B |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | B/B: riboswitch |
| RNA family global | riboswitch |
| Volume | 157.09 Å3 |
| Hydrophobicity | 0.792 |
| Hydrophilicity | 0.695 |
| Buriedness | 0.597 |
| Don/acc character | 4.411 |
| SiteScore | 0.955 |
| D Score | 0.823 |
| Kd | — |
| Compound | SAH |
| Residue | . / 55 |
| Chain | P / C |
| Non-redundant | False |
| Interacting RNA chains | C/C |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | C/C: riboswitch |
| RNA family global | riboswitch |
| Volume | 184.88 Å3 |
| Hydrophobicity | 0.566 |
| Hydrophilicity | 0.688 |
| Buriedness | 0.564 |
| Don/acc character | 2.572 |
| SiteScore | 1.038 |
| D Score | 0.939 |
| Kd | — |