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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3gx3

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 2.70
System mass 31.21 kDa
Deposition year 2009
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 3gx3
Reference Montange Rebecca K., Mondragón Estefanía, van Tyne Daria, Garst Andrew D., Ceres Pablo, Batey Robert T.. 2010. Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch Journal of Molecular Biology
Equivalence Class NR_all_84517.3
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 SAH
Residue . / 301
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 688.06 Å3
Hydrophobicity 0.303
Hydrophilicity 1.113
Buriedness 0.754
Don/acc character 1.622
SiteScore 1.188
D Score 1.029
Kd