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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6c65

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 EKJ
Residue . / 101
Chain D / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 387.93 Å3
Hydrophobicity 0.700
Hydrophilicity 0.690
Buriedness 0.619
Don/acc character 4.689
SiteScore 1.164
D Score 1.086
Kd 0.9nM

Compound EKJ
Residue . / 101
Chain H / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 373.18 Å3
Hydrophobicity 0.651
Hydrophilicity 0.735
Buriedness 0.621
Don/acc character 3.108
SiteScore 1.157
D Score 1.073
Kd 0.9nM

Compound EKJ
Residue . / 101
Chain L / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/C: aptamer_rna
RNA family global aptamer_rna
Volume 353.98 Å3
Hydrophobicity 0.699
Hydrophilicity 0.785
Buriedness 0.640
Don/acc character 2.508
SiteScore 1.161
D Score 1.068
Kd 0.9nM