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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2kd4

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 5.53 kDa
Deposition year 2009
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2kd4
Reference Horowitz Eric D., Lilavivat Seth, Holladay Benjamin W., Germann Markus W., Hud Nicholas V.. 2009. Solution Structure and Thermodynamics of 2′,5′ RNA Intercalation Journal of the American Chemical Society
Equivalence Class NR_all_56385.1
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 PRL
Residue . / 17
Chain C / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PRL
Residue . / 17
Chain D / B
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: unknown, B/B: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd