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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4lx6

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 2.15
System mass 22.97 kDa
Deposition year 2013
Molecule type RNA
# RNA entities 1
Organism Vibrio
RCSB PDB Entry 4lx6
Reference Robinson Christopher J., Vincent Helen A., Wu Ming-Cheng, Lowe Phillip T., Dunstan Mark S., Leys David, Micklefield Jason. 2014. Modular Riboswitch Toolsets for Synthetic Genetic Control in Diverse Bacterial Species Journal of the American Chemical Society
Equivalence Class NR_all_73445.3
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 29H
Residue . / 601
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 171.16 Å3
Hydrophobicity 0.166
Hydrophilicity 1.495
Buriedness 0.803
Don/acc character 0.791
SiteScore 1.069
D Score 0.741
Kd 95nM