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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9dxl

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 X-ray
Experimental resolution 2.80
System mass 32.95 kDa
Deposition year 2024
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 9dxl
Reference Siwik Shea H, Wierzba Aleksandra J, Lennon Shelby R, Olenginski Lukasz T, Palmer Amy E, Batey Robert T. 2025. Structural basis for ring-opening fluorescence by the RhoBAST RNA aptamer Nucleic Acids Research
Equivalence Class NR_all_17047.4
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 A1BC9
Residue . / 107
Chain I / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 93.98 Å3
Hydrophobicity 0.498
Hydrophilicity 0.890
Buriedness 0.558
Don/acc character 2.961
SiteScore 0.839
D Score 0.668
Kd