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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6hhq

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 G5B
Residue . / 4224
Chain UKA / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 358.78 Å3
Hydrophobicity 0.270
Hydrophilicity 1.028
Buriedness 0.639
Don/acc character 0.646
SiteScore 0.963
D Score 0.988
Kd

Compound G5B
Residue . / 4264
Chain VWB / AR
Non-redundant True
Interacting RNA chains TA/AR
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains TA/AR: rRNA
RNA family global rRNA
Volume 387.93 Å3
Hydrophobicity 0.255
Hydrophilicity 1.421
Buriedness 0.690
Don/acc character 0.568
SiteScore 0.995
D Score 0.891
Kd