HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3ger

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 1.70
System mass 23.67 kDa
Deposition year 2009
Molecule type RNA
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 3ger
Reference Gilbert Sunny D., Reyes Francis E., Edwards Andrea L., Batey Robert T.. 2009. Adaptive Ligand Binding by the Purine Riboswitch in the Recognition of Guanine and Adenine Analogs Structure
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 6GU
Residue . / 91
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 160.52 Å3
Hydrophobicity 0.079
Hydrophilicity 1.509
Buriedness 0.802
Don/acc character 0.776
SiteScore 1.045
D Score 0.705
Kd 0.89uM