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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2miy

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 Solution NMR
Experimental resolution N/A
System mass 19.08 kDa
Deposition year 2013
Molecule type RNA
# RNA entities 1
Organism Streptococcus
RCSB PDB Entry 2miy
Reference Kang Mijeong, Eichhorn Catherine D., Feigon Juli. 2014. Structural determinants for ligand capture by a class II preQ 1 riboswitch Proceedings of the National Academy of Sciences
Equivalence Class NR_all_12803.1
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 PRF
Residue . / 101
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 108.73 Å3
Hydrophobicity 0.112
Hydrophilicity 1.025
Buriedness 0.626
Don/acc character 3.099
SiteScore 0.793
D Score 0.581
Kd