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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3muv

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 3.20
System mass 41.95 kDa
Deposition year 2010
Molecule type RNA/Protein
# RNA entities 1
Organism Vibrio
RCSB PDB Entry 3muv
Reference Smith Kathryn D., Lipchock Sarah V., Livingston Alison L., Shanahan Carly A., Strobel Scott A.. 2010. Structural and Biochemical Determinants of Ligand Binding by the c-di-GMP Riboswitch, Biochemistry
Equivalence Class NR_all_12260.5
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 2BA
Residue . / 358
Chain C / R
Non-redundant True
Interacting RNA chains B/R
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/R: riboswitch
RNA family global riboswitch
Volume 339.23 Å3
Hydrophobicity 0.575
Hydrophilicity 1.019
Buriedness 0.712
Don/acc character 1.275
SiteScore 1.164
D Score 1.035
Kd