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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7qi6

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 PC / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 919.93 Å3
Hydrophobicity 0.215
Hydrophilicity 1.487
Buriedness 0.825
Don/acc character 0.673
SiteScore 1.085
D Score 0.950
Kd

Compound SPM
Residue . / 1702
Chain QC / AA
Non-redundant False
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 626.32 Å3
Hydrophobicity 0.217
Hydrophilicity 1.587
Buriedness 0.816
Don/acc character 1.543
SiteScore 1.229
D Score 0.913
Kd