HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5jc9

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 1PE
Residue . / 3188
Chain OW / DA
Non-redundant True
Interacting RNA chains AD/DA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains AD/DA: rRNA
RNA family global rRNA
Volume 87.81 Å3
Hydrophobicity 0.009
Hydrophilicity 1.175
Buriedness 0.594
Don/acc character 1.279
SiteScore 0.672
D Score 0.582
Kd

Compound 1PE
Residue . / 3205
Chain FX / DA
Non-redundant True
Interacting RNA chains AD/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains AD/DA: rRNA
RNA family global rRNA
Volume 343.00 Å3
Hydrophobicity 0.366
Hydrophilicity 0.906
Buriedness 0.706
Don/acc character 3.038
SiteScore 1.030
D Score 0.874
Kd

Compound PG4
Residue . / 1670
Chain SF / AA
Non-redundant False
Interacting RNA chains A/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PG4
Residue . / 1642
Chain TH / BA
Non-redundant True
Interacting RNA chains BA/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains BA/BA: rRNA
RNA family global rRNA
Volume 53.85 Å3
Hydrophobicity 0.013
Hydrophilicity 0.597
Buriedness 0.476
Don/acc character 4.260
SiteScore 1.087
D Score 1.031
Kd

Compound PG4
Residue . / 202
Chain UO / DS
Non-redundant True
Interacting RNA chains AD/DA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains AD/DA: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PG4
Residue . / 3196
Chain WW / DA
Non-redundant True
Interacting RNA chains AD/DA
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains AD/DA: rRNA
RNA family global rRNA
Volume 162.58 Å3
Hydrophobicity 0.343
Hydrophilicity 0.859
Buriedness 0.621
Don/acc character 0.778
SiteScore 0.978
D Score 0.833
Kd

Compound PG4
Residue . / 3218
Chain SX / DA
Non-redundant True
Interacting RNA chains AD/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains AD/DA: rRNA
RNA family global rRNA
Volume 174.59 Å3
Hydrophobicity 0.380
Hydrophilicity 0.839
Buriedness 0.656
Don/acc character 0.807
SiteScore 0.849
D Score 0.660
Kd