HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8g2b

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 6IF
Residue . / 4084
Chain ZSA / 1A
Non-redundant True
Interacting RNA chains CB/1x, A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA, CB/1x: tRNA
RNA family global multiple
Volume 360.15 Å3
Hydrophobicity 0.541
Hydrophilicity 0.905
Buriedness 0.673
Don/acc character 1.280
SiteScore 1.160
D Score 1.049
Kd

Compound 6IF
Residue . / 3831
Chain NQC / 2A
Non-redundant True
Interacting RNA chains EB/2A, GD/2x
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains EB/2A: rRNA, GD/2x: tRNA
RNA family global multiple
Volume 300.13 Å3
Hydrophobicity 0.809
Hydrophilicity 0.768
Buriedness 0.663
Don/acc character 1.399
SiteScore 1.029
D Score 1.088
Kd