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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5mei

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 7MB
Residue . / 4216
Chain MKA / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 485.00 Å3
Hydrophobicity 0.688
Hydrophilicity 1.712
Buriedness 0.827
Don/acc character 0.645
SiteScore 1.236
D Score 0.878
Kd

Compound 7MB
Residue . / 4239
Chain PGC / AR
Non-redundant True
Interacting RNA chains UA/AR
RNA environment detailled ion
RNA environment global RNA
RNA family chains UA/AR: rRNA
RNA family global rRNA
Volume 593.73 Å3
Hydrophobicity 0.762
Hydrophilicity 1.545
Buriedness 0.789
Don/acc character 0.816
SiteScore 1.211
D Score 0.910
Kd