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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8olv

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 EPE
Residue . / 441
Chain PA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EPE
Residue . / 442
Chain QA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPM
Residue . / 440
Chain OA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 252.45 Å3
Hydrophobicity 0.172
Hydrophilicity 0.923
Buriedness 0.652
Don/acc character 1.106
SiteScore 0.855
D Score 0.662
Kd

Compound VTR
Residue . / 443
Chain RA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 406.80 Å3
Hydrophobicity 0.099
Hydrophilicity 1.437
Buriedness 0.726
Don/acc character 2.338
SiteScore 1.169
D Score 0.907
Kd