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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5kal

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 UTP
Residue . / 501
Chain E / A
Non-redundant True
Interacting RNA chains C/Y
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains C/Y: unknown
RNA family global unknown
Volume 686.00 Å3
Hydrophobicity 0.498
Hydrophilicity 1.302
Buriedness 0.819
Don/acc character 0.555
SiteScore 1.081
D Score 1.007
Kd

Compound UTP
Residue . / 401
Chain G / B
Non-redundant False
Interacting RNA chains D/Z
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains D/Z: unknown
RNA family global unknown
Volume 677.43 Å3
Hydrophobicity 0.586
Hydrophilicity 1.395
Buriedness 0.848
Don/acc character 0.442
SiteScore 1.100
D Score 0.994
Kd