Complex 8hba
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 | 2.64 |
| System mass | 38.59 kDa |
| Deposition year | 2022 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Streptococcus |
| RCSB PDB Entry | 8hba |
| Reference | Peng Xuemei, Liao Wenjian, Lin Xiaowei, Lilley David M J, Huang Lin. 2023. Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets Nucleic Acids Research |
| Equivalence Class |
NR_all_36913.3
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 | NAD |
| Residue | . / 101 |
| Chain | C / 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 | 131.03 Å3 |
| Hydrophobicity | 0.411 |
| Hydrophilicity | 0.912 |
| Buriedness | 0.647 |
| Don/acc character | 2.502 |
| SiteScore | 0.888 |
| D Score | 0.819 |
| Kd | — |
| Compound | NAD |
| Residue | . / 102 |
| Chain | D / A |
| Non-redundant | False |
| 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 | 241.13 Å3 |
| Hydrophobicity | 0.090 |
| Hydrophilicity | 1.393 |
| Buriedness | 0.682 |
| Don/acc character | 1.199 |
| SiteScore | 1.140 |
| D Score | 0.895 |
| Kd | — |
| Compound | NAD |
| Residue | . / 101 |
| Chain | E / 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 | 142.35 Å3 |
| Hydrophobicity | 0.415 |
| Hydrophilicity | 0.845 |
| Buriedness | 0.650 |
| Don/acc character | 3.295 |
| SiteScore | 0.876 |
| D Score | 0.825 |
| Kd | — |
| Compound | NMN |
| Residue | . / 102 |
| Chain | F / B |
| Non-redundant | True |
| 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 | 240.44 Å3 |
| Hydrophobicity | 0.133 |
| Hydrophilicity | 1.434 |
| Buriedness | 0.700 |
| Don/acc character | 1.227 |
| SiteScore | 1.151 |
| D Score | 0.892 |
| Kd | — |