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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8u9x

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).

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound ATP
Residue . / 2501
Chain S / B
Non-redundant True
Interacting RNA chains M/R
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains M/R: synthetic construct
RNA family global synthetic construct
Volume 632.49 Å3
Hydrophobicity 0.585
Hydrophilicity 1.212
Buriedness 0.844
Don/acc character 1.929
SiteScore 1.098
D Score 1.051
Kd