Complex 7rq8
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 | 2.50 |
| System mass | 4566.39 kDa |
| Deposition year | 2021 |
| Molecule type | RNA/Protein |
| # RNA entities | 1 |
| Organism | Thermus |
| RCSB PDB Entry | 7rq8 |
| Reference | Mitcheltree Matthew J., Pisipati Amarnath, Syroegin Egor A., Silvestre Katherine J., Klepacki Dorota, Mason Jeremy D., Terwilliger Daniel W., Testolin Giambattista, Pote Aditya R., Wu Kelvin J. Y., Ladley Richard Porter, Chatman Kelly, Mankin Alexander S., Polikanov Yury S., Myers Andrew G.. 2021. A synthetic antibiotic class overcoming bacterial multidrug resistance Nature |
| Equivalence Class |
NR_all_35542.167,
NR_all_97519.80
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 | 6IF |
| Residue | . / 4109 |
| Chain | YTA / 1A |
| Non-redundant | True |
| Interacting RNA chains | A/1A, CB/1x |
| RNA environment detailled | protein, ion |
| RNA environment global | RNA/Protein |
| RNA family chains | A/1A: rRNA, CB/1x: tRNA |
| RNA family global | multiple |
| Volume | 383.82 Å3 |
| Hydrophobicity | 0.743 |
| Hydrophilicity | 1.004 |
| Buriedness | 0.665 |
| Don/acc character | 1.212 |
| SiteScore | 0.985 |
| D Score | 1.011 |
| Kd | — |
| Compound | 6IF |
| Residue | . / 3731 |
| Chain | ZNC / 2A |
| Non-redundant | True |
| Interacting RNA chains | GD/2x, EB/2A |
| RNA environment detailled | protein, ion |
| RNA environment global | RNA/Protein |
| RNA family chains | EB/2A: rRNA, GD/2x: tRNA |
| RNA family global | multiple |
| Volume | 333.40 Å3 |
| Hydrophobicity | 0.928 |
| Hydrophilicity | 0.662 |
| Buriedness | 0.676 |
| Don/acc character | 1.567 |
| SiteScore | 1.058 |
| D Score | 1.129 |
| Kd | — |