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Harnessing RIBOnucleic acid - Small molecules Structures
Illustration - complex

Complex 3ds7

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 1.85
System mass 45.51 kDa
Deposition year 2008
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3ds7
Reference Edwards Andrea L., Batey Robert T.. 2009. A Structural Basis for the Recognition of 2′-Deoxyguanosine by the Purine Riboswitch Journal of Molecular Biology
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 GNG
Residue . / 120
Chain I / 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 542.63 Å3
Hydrophobicity 0.116
Hydrophilicity 1.234
Buriedness 0.744
Don/acc character 1.154
SiteScore 1.181
D Score 0.984
Kd 39uM

Compound GNG
Residue . / 320
Chain Q / B
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/B: riboswitch
RNA family global riboswitch
Volume 547.43 Å3
Hydrophobicity 0.143
Hydrophilicity 1.194
Buriedness 0.704
Don/acc character 1.053
SiteScore 1.154
D Score 0.973
Kd 39uM