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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6dtd

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 CIT
Residue . / 1205
Chain G / A
Non-redundant True
Interacting RNA chains B/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/C: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PG4
Residue . / 1210
Chain L / A
Non-redundant True
Interacting RNA chains B/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/C: unknown
RNA family global unknown
Volume 76.15 Å3
Hydrophobicity 0.392
Hydrophilicity 0.862
Buriedness 0.578
Don/acc character 0.106
SiteScore 0.595
D Score 0.545
Kd

Compound PG4
Residue . / 102
Chain O / C
Non-redundant True
Interacting RNA chains B/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/C: unknown
RNA family global unknown
Volume 276.80 Å3
Hydrophobicity 0.274
Hydrophilicity 0.899
Buriedness 0.686
Don/acc character 0.860
SiteScore 0.913
D Score 0.922
Kd