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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4zc7

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 PAR
Residue . / 101
Chain E / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 99.81 Å3
Hydrophobicity 0.093
Hydrophilicity 1.026
Buriedness 0.578
Don/acc character 1.439
SiteScore 0.842
D Score 0.656
Kd

Compound PAR
Residue . / 101
Chain F / C
Non-redundant False
Interacting RNA chains C/C, D/D
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains C/C: rRNA, D/D: rRNA
RNA family global rRNA
Volume 98.78 Å3
Hydrophobicity 0.100
Hydrophilicity 0.880
Buriedness 0.570
Don/acc character 1.313
SiteScore 0.826
D Score 0.650
Kd