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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9b50

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).

System information

Experimental technique Electron Microscopy
Experimental resolution 2.70
System mass 2147.43 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 9b50
Reference Dey Debayan, Mattingly Jacob M., Zelinskaya Natalia, Dunham Christine M., Conn Graeme L.. 2025. Basis for selective drug evasion of an aminoglycoside-resistance ribosomal RNA modification Nature Communications
Equivalence Class NR_all_56726.172
BGSU version: 4.52

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 84G
Residue . / 1694
Chain PE / 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 100.16 Å3
Hydrophobicity 0.091
Hydrophilicity 0.882
Buriedness 0.569
Don/acc character 3.695
SiteScore 0.842
D Score 0.671
Kd

Compound 84G
Residue . / 1695
Chain QE / AA
Non-redundant False
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 237.70 Å3
Hydrophobicity 0.018
Hydrophilicity 1.113
Buriedness 0.658
Don/acc character 2.158
SiteScore 0.943
D Score 0.741
Kd