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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7md7

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 ARG
Residue . / 228
Chain TSA / 1B
Non-redundant True
Interacting RNA chains B/1B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/1B: rRNA
RNA family global rRNA
Volume 98.44 Å3
Hydrophobicity 0.054
Hydrophilicity 1.775
Buriedness 0.575
Don/acc character 0.983
SiteScore 0.868
D Score 0.450
Kd

Compound ARG
Residue . / 316
Chain GUA / 1F
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound YXM
Residue . / 4055
Chain QRA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 529.94 Å3
Hydrophobicity 0.540
Hydrophilicity 1.686
Buriedness 0.781
Don/acc character 0.540
SiteScore 1.206
D Score 0.859
Kd

Compound YXM
Residue . / 3758
Chain ZMC / 2A
Non-redundant True
Interacting RNA chains BB/2A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains BB/2A: rRNA
RNA family global rRNA
Volume 570.41 Å3
Hydrophobicity 0.835
Hydrophilicity 1.097
Buriedness 0.775
Don/acc character 0.833
SiteScore 1.202
D Score 1.047
Kd