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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3sux

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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 2.90
System mass 33.33 kDa
Deposition year 2011
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3sux
Reference Huang Lili, Ishibe-Murakami Satoko, Patel Dinshaw J., Serganov Alexander. 2011. Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch Proceedings of the National Academy of Sciences
Equivalence Class NR_all_20814.3
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 THF
Residue . / 103
Chain C / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/X: riboswitch
RNA family global riboswitch
Volume 65.51 Å3
Hydrophobicity 0.088
Hydrophilicity 0.982
Buriedness 0.573
Don/acc character 3.910
SiteScore 0.629
D Score 0.388
Kd