Complex 6xb7
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 | Solution NMR |
| Experimental resolution | N/A |
| System mass | 13.46 kDa |
| Deposition year | 2020 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Enterovirus |
| RCSB PDB Entry | 6xb7 |
| Reference | Davila-Calderon Jesse, Patwardhan Neeraj N., Chiu Liang-Yuan, Sugarman Andrew, Cai Zhengguo, Penutmutchu Srinivasa R., Li Mei-Ling, Brewer Gary, Hargrove Amanda E., Tolbert Blanton S.. 2020. IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex Nature Communications |
| Molecular Dynamics Simulation | mmb-A01WF, mmb-A01WG, mmb-A01WI, mmb-A022D, mmb-A022N |
| Equivalence Class |
NR_all_39508.1
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 | UYS |
| Residue | . / 101 |
| Chain | B / A |
| Non-redundant | True |
| Interacting RNA chains | A/A |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/A: rRNA |
| RNA family global | rRNA |
| Volume | 219.18 Å3 |
| Hydrophobicity | 0.611 |
| Hydrophilicity | 0.861 |
| Buriedness | 0.628 |
| Don/acc character | 2.999 |
| SiteScore | 1.138 |
| D Score | 1.036 |
| Kd | — |