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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9uw0

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 1.97
System mass 21.66 kDa
Deposition year 2025
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 9uw0
Reference Shen Xin, Li Hongcheng, Xu Xiaochen, Song Qianqian, Tai Xiaoqing, He Mengqi, Ren Aiming. 2025. Structure-based insights into the ligand specificity tuning of 2′-dG-III riboswitch Nucleic Acids Research
Equivalence Class NR_all_63374.1
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 GMP
Residue . / 101
Chain B / X
Non-redundant True
Interacting RNA chains A/X
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/X: riboswitch
RNA family global riboswitch
Volume 443.16 Å3
Hydrophobicity 0.170
Hydrophilicity 1.218
Buriedness 0.751
Don/acc character 1.175
SiteScore 1.185
D Score 0.993
Kd