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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2kxm

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 Solution NMR
Experimental resolution N/A
System mass 9.01 kDa
Deposition year 2010
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2kxm
Reference Duchardt‐Ferner Elke, Weigand Julia E., Ohlenschläger Oliver, Schmidtke Sina R., Suess Beatrix, Wöhnert Jens. 2010. Highly Modular Structure and Ligand Binding by Conformational Capture in a Minimalistic Riboswitch Angewandte Chemie International Edition
Equivalence Class NR_all_05394.2
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 RIO
Residue . / 101
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 326.19 Å3
Hydrophobicity 0.282
Hydrophilicity 0.921
Buriedness 0.712
Don/acc character 2.637
SiteScore 1.183
D Score 1.067
Kd