Complex 2l94
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 | 14.86 kDa |
| Deposition year | 2011 |
| Molecule type | RNA |
| # RNA entities | 1 |
| Organism | Lentivirus |
| RCSB PDB Entry | 2l94 |
| Reference | Marcheschi Ryan J., Tonelli Marco, Kumar Arvind, Butcher Samuel E.. 2011. Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication ACS Chemical Biology |
| Molecular Dynamics Simulation | mmb-A01WQ, mmb-A01X1, mmb-A01XH, mmb-A022K, mmb-A022Q |
| Equivalence Class |
NR_all_80173.1
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 | L94 |
| Residue | . / 46 |
| 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: TAR_rna |
| RNA family global | TAR_rna |
| Volume | 164.64 Å3 |
| Hydrophobicity | 0.026 |
| Hydrophilicity | 0.867 |
| Buriedness | 0.653 |
| Don/acc character | 2.346 |
| SiteScore | 0.780 |
| D Score | 0.570 |
| Kd | 360uM |