Complex 1uui
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 | 9.63 kDa |
| Deposition year | 2003 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Lentivirus |
| RCSB PDB Entry | 1uui |
| Reference | Davis Ben, Afshar Mohammad, Varani Gabriele, Murchie Alastair I.H., Karn Jonathan, Lentzen Georg, Drysdale Martin, Bower Justin, Potter Andrew J., Starkey Ian D., Swarbrick Terry, Aboul-ela Fareed. 2004. Rational Design of Inhibitors of HIV-1 TAR RNA through the Stabilisation of Electrostatic “Hot Spots” Journal of Molecular Biology |
| Molecular Dynamics Simulation | mmb-A01WP, mmb-A01WX, mmb-A01XG, mmb-A0228, mmb-A022I |
| Equivalence Class |
NR_all_42491.1
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 | P12 |
| Residue | . / 1046 |
| Chain | B / B |
| Non-redundant | True |
| Interacting RNA chains | A/B |
| RNA environment detailled | RNA-only |
| RNA environment global | RNA |
| RNA family chains | A/B: TAR_rna |
| RNA family global | TAR_rna |
| Volume | 94.33 Å3 |
| Hydrophobicity | 0.055 |
| Hydrophilicity | 0.569 |
| Buriedness | 0.425 |
| Don/acc character | 3.302 |
| SiteScore | 1.058 |
| D Score | 1.009 |
| Kd | — |