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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6dme

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 34.44 kDa
Deposition year 2018
Molecule type RNA
# RNA entities 1
Organism Sulfobacillus
RCSB PDB Entry 6dme
Reference Peselis Alla, Serganov Alexander. 2018. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands Nature Chemical Biology
Equivalence Class NR_all_86427.3
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 G4P
Residue . / 201
Chain B / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 234.96 Å3
Hydrophobicity 0.156
Hydrophilicity 1.006
Buriedness 0.626
Don/acc character 1.619
SiteScore 1.023
D Score 0.878
Kd