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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8p9a

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 XBI
Residue . / 4157
Chain EIA / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 341.97 Å3
Hydrophobicity 0.644
Hydrophilicity 0.848
Buriedness 0.700
Don/acc character 1.045
SiteScore 1.039
D Score 1.084
Kd

Compound XBI
Residue . / 4222
Chain HSB / AR
Non-redundant True
Interacting RNA chains TA/AR
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains TA/AR: rRNA
RNA family global rRNA
Volume 374.56 Å3
Hydrophobicity 0.481
Hydrophilicity 1.039
Buriedness 0.700
Don/acc character 0.996
SiteScore 1.002
D Score 1.021
Kd