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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8syk

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 TAC
Residue . / 202
Chain F / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: synthetic construct
RNA family global synthetic construct
Volume 419.49 Å3
Hydrophobicity 0.413
Hydrophilicity 1.060
Buriedness 0.697
Don/acc character 1.149
SiteScore 1.149
D Score 1.012
Kd

Compound TAC
Residue . / 202
Chain CA / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: synthetic construct
RNA family global synthetic construct
Volume 407.83 Å3
Hydrophobicity 0.406
Hydrophilicity 0.959
Buriedness 0.659
Don/acc character 1.777
SiteScore 1.140
D Score 1.023
Kd

Compound TAC
Residue . / 202
Chain QA / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: synthetic construct
RNA family global synthetic construct
Volume 498.04 Å3
Hydrophobicity 0.256
Hydrophilicity 1.079
Buriedness 0.691
Don/acc character 1.273
SiteScore 1.145
D Score 1.003
Kd

Compound TAC
Residue . / 202
Chain IB / D
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains D/D: synthetic construct
RNA family global synthetic construct
Volume 344.72 Å3
Hydrophobicity 0.428
Hydrophilicity 0.990
Buriedness 0.696
Don/acc character 1.151
SiteScore 1.158
D Score 1.035
Kd