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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6of1

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 DI0
Residue . / 4098
Chain NTA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 643.81 Å3
Hydrophobicity 0.308
Hydrophilicity 1.761
Buriedness 0.771
Don/acc character 0.391
SiteScore 1.199
D Score 0.828
Kd

Compound DI0
Residue . / 3846
Chain BCC / 2A
Non-redundant True
Interacting RNA chains B/2A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/2A: rRNA
RNA family global rRNA
Volume 526.51 Å3
Hydrophobicity 0.558
Hydrophilicity 1.454
Buriedness 0.757
Don/acc character 0.505
SiteScore 1.189
D Score 0.920
Kd