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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6uc8

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 1.90
System mass 23.02 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 6uc8
Reference Matyjasik Michal M., Hall Simone D., Batey Robert T.. 2020. High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch Molecules
Equivalence Class NR_all_89429.8
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 ANG
Residue . / 101
Chain B / B
Non-redundant True
Interacting RNA chains A/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/B: riboswitch
RNA family global riboswitch
Volume 150.92 Å3
Hydrophobicity 0.050
Hydrophilicity 1.327
Buriedness 0.804
Don/acc character 1.089
SiteScore 1.017
D Score 0.728
Kd