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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8qrn

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 NAD
Residue . / 1701
Chain IA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 878.77 Å3
Hydrophobicity 0.335
Hydrophilicity 1.254
Buriedness 0.827
Don/acc character 0.827
SiteScore 1.236
D Score 1.028
Kd

Compound SPM
Residue . / 1702
Chain JA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 651.70 Å3
Hydrophobicity 0.262
Hydrophilicity 1.088
Buriedness 0.806
Don/acc character 3.716
SiteScore 1.222
D Score 1.069
Kd

Compound SRY
Residue . / 1703
Chain KA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 250.39 Å3
Hydrophobicity 0.394
Hydrophilicity 1.235
Buriedness 0.778
Don/acc character 2.101
SiteScore 1.138
D Score 0.921
Kd