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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8ogj

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 SPK
Residue . / 3402
Chain CC / 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 400.62 Å3
Hydrophobicity 0.060
Hydrophilicity 1.410
Buriedness 0.655
Don/acc character 1.261
SiteScore 1.121
D Score 0.873
Kd

Compound YMZ
Residue . / 3401
Chain BC / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 246.27 Å3
Hydrophobicity 0.475
Hydrophilicity 0.873
Buriedness 0.683
Don/acc character 2.432
SiteScore 0.897
D Score 0.712
Kd

Compound YMZ
Residue . / 301
Chain BQ / j
Non-redundant True
Interacting RNA chains TA/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains TA/A: rRNA
RNA family global rRNA
Volume 405.43 Å3
Hydrophobicity 0.540
Hydrophilicity 1.108
Buriedness 0.744
Don/acc character 2.403
SiteScore 1.001
D Score 0.987
Kd