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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2ygh

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 2.60
System mass 31.41 kDa
Deposition year 2011
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 2ygh
Reference Schroeder Kersten T., Daldrop Peter, Lilley David M.J.. 2011. RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn Structure
Equivalence Class NR_all_84517.3
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 SAM
Residue . / 1096
Chain B / A
Non-redundant False
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 655.13 Å3
Hydrophobicity 0.469
Hydrophilicity 1.151
Buriedness 0.813
Don/acc character 1.285
SiteScore 1.227
D Score 1.053
Kd 0.31uM