HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8p4v

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 X1K
Residue . / 4181
Chain DJA / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 305.27 Å3
Hydrophobicity 0.604
Hydrophilicity 0.998
Buriedness 0.708
Don/acc character 1.041
SiteScore 1.015
D Score 1.039
Kd —

Compound X1K
Residue . / 4205
Chain YSB / AR
Non-redundant True
Interacting RNA chains TA/AR
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains TA/AR: rRNA
RNA family global rRNA
Volume 363.24 Å3
Hydrophobicity 0.378
Hydrophilicity 0.999
Buriedness 0.701
Don/acc character 1.229
SiteScore 1.010
D Score 1.035
Kd —