Complex 4pqu
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 | 2.51 |
| System mass | 260.48 kDa |
| Deposition year | 2014 |
| Molecule type | RNA/DNA/Protein |
| # RNA entities | 1 |
| Organism | N/A |
| RCSB PDB Entry | 4pqu |
| Reference | Das Kalyan, Martinez Sergio E., Bandwar Rajiv P., Arnold Eddy. 2014. Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage Nucleic Acids Research |
| Equivalence Class |
NR_all_76193.2
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 | DTP |
| Residue | . / 601 |
| Chain | I / A |
| Non-redundant | True |
| Interacting RNA chains | E/T |
| RNA environment detailled | DNA, protein, ion |
| RNA environment global | RNA/DNA/Protein |
| RNA family chains | E/T: TAR_rna |
| RNA family global | TAR_rna |
| Volume | 483.63 Å3 |
| Hydrophobicity | 0.529 |
| Hydrophilicity | 1.318 |
| Buriedness | 0.787 |
| Don/acc character | 0.578 |
| SiteScore | 1.060 |
| D Score | 0.983 |
| Kd | — |
| Compound | DTP |
| Residue | . / 601 |
| Chain | S / C |
| Non-redundant | True |
| Interacting RNA chains | G/E |
| RNA environment detailled | DNA, protein, ion |
| RNA environment global | RNA/DNA/Protein |
| RNA family chains | G/E: TAR_rna |
| RNA family global | TAR_rna |
| Volume | 612.94 Å3 |
| Hydrophobicity | 0.385 |
| Hydrophilicity | 1.469 |
| Buriedness | 0.839 |
| Don/acc character | 0.625 |
| SiteScore | 1.094 |
| D Score | 0.965 |
| Kd | — |