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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6cao

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 PAR
Residue . / 1602
Chain Y / 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 275.09 Å3
Hydrophobicity 0.016
Hydrophilicity 1.634
Buriedness 0.802
Don/acc character 1.454
SiteScore 0.717
D Score 0.437
Kd

Compound PAR
Residue . / 1603
Chain Z / 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 587.90 Å3
Hydrophobicity 0.076
Hydrophilicity 1.297
Buriedness 0.805
Don/acc character 1.361
SiteScore 1.088
D Score 0.829
Kd

Compound PAR
Residue . / 1604
Chain AA / 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 254.51 Å3
Hydrophobicity 0.021
Hydrophilicity 1.589
Buriedness 0.701
Don/acc character 1.789
SiteScore 0.766
D Score 0.540
Kd

Compound PAR
Residue . / 1605
Chain BA / 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 347.46 Å3
Hydrophobicity 0.032
Hydrophilicity 2.384
Buriedness 0.794
Don/acc character 0.841
SiteScore 0.806
D Score 0.309
Kd

Compound PAR
Residue . / 1606
Chain CA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 45.28 Å3
Hydrophobicity 0.014
Hydrophilicity 2.406
Buriedness 0.927
Don/acc character 0.693
SiteScore 0.881
D Score 0.171
Kd