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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8qrm

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 NAD
Residue . / 1701
Chain GA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 872.94 Å3
Hydrophobicity 0.218
Hydrophilicity 1.290
Buriedness 0.828
Don/acc character 0.850
SiteScore 1.237
D Score 1.016
Kd

Compound SPM
Residue . / 1702
Chain HA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 693.55 Å3
Hydrophobicity 0.243
Hydrophilicity 1.086
Buriedness 0.802
Don/acc character 3.409
SiteScore 1.220
D Score 1.067
Kd

Compound SRY
Residue . / 1703
Chain IA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 256.91 Å3
Hydrophobicity 0.263
Hydrophilicity 1.092
Buriedness 0.705
Don/acc character 2.803
SiteScore 1.094
D Score 0.929
Kd