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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cq7

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 3K5
Residue . / 3401
Chain HF / 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 261.02 Å3
Hydrophobicity 0.322
Hydrophilicity 0.959
Buriedness 0.635
Don/acc character 1.091
SiteScore 0.863
D Score 0.866
Kd

Compound 3K5
Residue . / 3401
Chain NQA / AS
Non-redundant True
Interacting RNA chains AC/AS
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains AC/AS: rRNA
RNA family global rRNA
Volume 594.76 Å3
Hydrophobicity 0.383
Hydrophilicity 1.005
Buriedness 0.753
Don/acc character 1.007
SiteScore 1.044
D Score 1.064
Kd