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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cqw

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 3K5
Residue . / 3402
Chain IF / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 300.13 Å3
Hydrophobicity 0.426
Hydrophilicity 0.941
Buriedness 0.662
Don/acc character 1.036
SiteScore 0.946
D Score 0.967
Kd

Compound 3K5
Residue . / 3401
Chain WJA / AS
Non-redundant True
Interacting RNA chains BC/AS
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains BC/AS: rRNA
RNA family global rRNA
Volume 584.82 Å3
Hydrophobicity 0.336
Hydrophilicity 1.000
Buriedness 0.764
Don/acc character 0.969
SiteScore 1.052
D Score 1.072
Kd

Compound HYG
Residue . / 1953
Chain YIA / B
Non-redundant True
Interacting RNA chains TA/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains TA/B: rRNA
RNA family global rRNA
Volume 324.14 Å3
Hydrophobicity 0.043
Hydrophilicity 0.760
Buriedness 0.511
Don/acc character 1.819
SiteScore 1.079
D Score 0.999
Kd

Compound HYG
Residue . / 1902
Chain BAB / CM
Non-redundant True
Interacting RNA chains UD/CM
RNA environment detailled ion
RNA environment global RNA
RNA family chains UD/CM: rRNA
RNA family global rRNA
Volume 106.33 Å3
Hydrophobicity 0.171
Hydrophilicity 0.816
Buriedness 0.659
Don/acc character 1.792
SiteScore 0.793
D Score 0.590
Kd