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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5x22

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 2TM
Residue . / 2007
Chain Z / D
Non-redundant True
Interacting RNA chains I/I
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains I/I: unknown
RNA family global unknown
Volume 608.48 Å3
Hydrophobicity 0.199
Hydrophilicity 1.339
Buriedness 0.801
Don/acc character 0.781
SiteScore 0.953
D Score 0.836
Kd

Compound 2TM
Residue . / 2007
Chain IA / N
Non-redundant True
Interacting RNA chains R/S
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains R/S: unknown
RNA family global unknown
Volume 300.13 Å3
Hydrophobicity 0.239
Hydrophilicity 1.336
Buriedness 0.769
Don/acc character 0.968
SiteScore 0.688
D Score 0.506
Kd