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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9g1z

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 SPK
Residue . / 3402
Chain FC / 1
Non-redundant True
Interacting RNA chains EB/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains EB/1: rRNA
RNA family global rRNA
Volume 595.79 Å3
Hydrophobicity 0.225
Hydrophilicity 1.365
Buriedness 0.885
Don/acc character 1.498
SiteScore 1.125
D Score 1.026
Kd

Compound YMZ
Residue . / 301
Chain DC / j
Non-redundant True
Interacting RNA chains J/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains J/A: rRNA
RNA family global rRNA
Volume 85.41 Å3
Hydrophobicity 0.608
Hydrophilicity 0.704
Buriedness 0.643
Don/acc character 1.398
SiteScore 0.787
D Score 0.787
Kd

Compound YMZ
Residue . / 3401
Chain EC / 1
Non-redundant True
Interacting RNA chains EB/1
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/1: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd