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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2ku0

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 12.44 kDa
Deposition year 2010
Molecule type RNA
# RNA entities 1
Organism Hepacivirus
RCSB PDB Entry 2ku0
Reference Paulsen Ryan B., Seth Punit P., Swayze Eric E., Griffey Richard H., Skalicky Jack J., Cheatham Thomas E., Davis Darrell R.. 2010. Inhibitor-induced structural change in the HCV IRES domain IIa RNA Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65230.1
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 ISI
Residue . / 39
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: rRNA
RNA family global rRNA
Volume 136.17 Å3
Hydrophobicity 0.619
Hydrophilicity 0.699
Buriedness 0.569
Don/acc character 3.935
SiteScore 0.950
D Score 0.823
Kd 2.6uM