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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4w2g

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 . / 3231
Chain EM / AA
Non-redundant True
Interacting RNA chains A/AA, Y/AY, V/AV
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA, V/AV: mRNA, Y/AY: tRNA
RNA family global multiple
Volume 474.71 Å3
Hydrophobicity 0.116
Hydrophilicity 0.660
Buriedness 0.454
Don/acc character 2.642
SiteScore 1.060
D Score 0.997
Kd

Compound PCY
Residue . / 3178
Chain IFB / CA
Non-redundant True
Interacting RNA chains ZB/CV, EB/CA, CC/CY
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains CC/CY: tRNA, EB/CA: rRNA, ZB/CV: mRNA
RNA family global multiple
Volume 631.81 Å3
Hydrophobicity 0.293
Hydrophilicity 1.022
Buriedness 0.646
Don/acc character 1.393
SiteScore 1.119
D Score 0.995
Kd