Complex 5uj2
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 | 2.90 |
| System mass | 69.50 kDa |
| Deposition year | 2017 |
| Molecule type | RNA/Protein |
| # RNA entities | 1 |
| Organism | Escherichia |
| RCSB PDB Entry | 5uj2 |
| Reference | Kirschberg Thorsten A., Metobo Sammy, Clarke Michael O., Aktoudianakis Vangelis, Babusis Darius, Barauskas Ona, Birkus Gabriel, Butler Thomas, Byun Daniel, Chin Gregory, Doerffler Edward, Edwards Thomas E., Fenaux Martijn, Lee Rick, Lew Willard, Mish Michael R., Murakami Eisuke, Park Yeojin, Squires Neil H., Tirunagari Neeraj, Wang Ting, Whitcomb Mark, Xu Jie, Yang Huiling, Ye Hong, Zhang Lijun, Appleby Todd C., Feng Joy Y., Ray Adrian S., Cho Aesop, Kim Choung U.. 2017. Discovery of a 2′-fluoro-2′-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties Bioorganic & Medicinal Chemistry Letters |
| Equivalence Class |
NR_all_43710.2
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 | 8B4 |
| Residue | . / 602 |
| Chain | E / P |
| Non-redundant | True |
| Interacting RNA chains | B/P, A/T |
| RNA environment detailled | protein, ion |
| RNA environment global | RNA/Protein |
| RNA family chains | A/T: unknown, B/P: unknown |
| RNA family global | unknown |
| Volume | 229.12 Å3 |
| Hydrophobicity | 0.301 |
| Hydrophilicity | 1.396 |
| Buriedness | 0.710 |
| Don/acc character | 0.350 |
| SiteScore | 1.008 |
| D Score | 0.911 |
| Kd | — |