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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8f0n

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 2.85
System mass 32.84 kDa
Deposition year 2022
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 8f0n
Reference Passalacqua Luiz F. M., Starich Mary R., Link Katie A., Wu Jiahui, Knutson Jay R., Tjandra Nico, Jaffrey Samie R., Ferré-D’Amaré Adrian R.. 2023. Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture Nature Communications
Equivalence Class NR_all_98067.3
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 747
Residue . / 103
Chain E / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/B: synthetic construct
RNA family global synthetic construct
Volume 200.66 Å3
Hydrophobicity 1.180
Hydrophilicity 0.657
Buriedness 0.604
Don/acc character 4.429
SiteScore 1.161
D Score 1.088
Kd

Compound 747
Residue . / 104
Chain I / A
Non-redundant True
Interacting RNA chains B/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/A: synthetic construct
RNA family global synthetic construct
Volume 426.01 Å3
Hydrophobicity 0.544
Hydrophilicity 1.050
Buriedness 0.689
Don/acc character 1.324
SiteScore 1.144
D Score 1.011
Kd