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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cre

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
RNA environment global RNA/Protein
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 533.37 Å3
Hydrophobicity 0.221
Hydrophilicity 1.111
Buriedness 0.735
Don/acc character 1.490
SiteScore 1.175
D Score 1.019
Kd

Compound 3K5
Residue . / 3401
Chain XJA / 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 529.59 Å3
Hydrophobicity 0.216
Hydrophilicity 1.162
Buriedness 0.764
Don/acc character 1.123
SiteScore 1.194
D Score 1.019
Kd

Compound GET
Residue . / 1801
Chain CDA / B
Non-redundant True
Interacting RNA chains TA/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains TA/B: rRNA
RNA family global rRNA
Volume 104.62 Å3
Hydrophobicity 0.084
Hydrophilicity 0.987
Buriedness 0.589
Don/acc character 1.433
SiteScore 0.835
D Score 0.648
Kd

Compound GET
Residue . / 1904
Chain EAB / CM
Non-redundant True
Interacting RNA chains UD/CM
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains UD/CM: rRNA
RNA family global rRNA
Volume 324.14 Å3
Hydrophobicity 0.182
Hydrophilicity 1.119
Buriedness 0.689
Don/acc character 1.717
SiteScore 1.144
D Score 0.989
Kd