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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4w2h

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 PCY
Residue . / 3191
Chain OK / AA
Non-redundant True
Interacting RNA chains A/AA, V/AV
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA, V/AV: mRNA
RNA family global multiple
Volume 499.75 Å3
Hydrophobicity 0.217
Hydrophilicity 1.702
Buriedness 0.726
Don/acc character 0.759
SiteScore 1.169
D Score 0.821
Kd

Compound PCY
Residue . / 3176
Chain ZBB / CA
Non-redundant True
Interacting RNA chains DB/CA, YB/CV
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains DB/CA: rRNA, YB/CV: mRNA
RNA family global multiple
Volume 562.18 Å3
Hydrophobicity 0.266
Hydrophilicity 1.171
Buriedness 0.699
Don/acc character 1.399
SiteScore 1.151
D Score 0.978
Kd