HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2juk

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 7.94 kDa
Deposition year 2007
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 2juk
Reference Staple David W., Venditti Vincenzo, Niccolai Neri, Elson‐Schwab Lev, Tor Yitzhak, Butcher Samuel E.. 2008. Guanidinoneomycin B Recognition of an HIV‐1 RNA Helix ChemBioChem
Equivalence Class NR_all_86794.1
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 G0B
Residue . / 23
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: TAR_rna
RNA family global TAR_rna
Volume 106.67 Å3
Hydrophobicity 0.022
Hydrophilicity 0.602
Buriedness 0.427
Don/acc character 3.718
SiteScore 1.053
D Score 1.000
Kd