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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1yls

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 DAI
Residue . / 100
Chain E / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme, B/B: ribozyme
RNA family global ribozyme
Volume 609.17 Å3
Hydrophobicity 1.099
Hydrophilicity 0.764
Buriedness 0.734
Don/acc character 1.578
SiteScore 1.228
D Score 1.132
Kd

Compound DAI
Residue . / 100
Chain M / C
Non-redundant True
Interacting RNA chains D/D, C/C
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains C/C: ribozyme, D/D: ribozyme
RNA family global ribozyme
Volume 619.80 Å3
Hydrophobicity 0.977
Hydrophilicity 0.795
Buriedness 0.720
Don/acc character 1.208
SiteScore 1.212
D Score 1.113
Kd