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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8olz

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 . / 450
Chain ZA / 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 46.31 Å3
Hydrophobicity 0.018
Hydrophilicity 1.112
Buriedness 0.564
Don/acc character 3.876
SiteScore 0.591
D Score 0.315
Kd

Compound SPM
Residue . / 449
Chain YA / 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 372.16 Å3
Hydrophobicity 0.095
Hydrophilicity 1.139
Buriedness 0.697
Don/acc character 1.506
SiteScore 1.025
D Score 0.828
Kd

Compound VTE
Residue . / 453
Chain CB / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: ribozyme, B/B: ribozyme
RNA family global ribozyme
Volume 239.07 Å3
Hydrophobicity 0.051
Hydrophilicity 1.412
Buriedness 0.665
Don/acc character 4.356
SiteScore 1.055
D Score 0.785
Kd