HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5w51

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 3.40
System mass 486.81 kDa
Deposition year 2017
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 5w51
Reference Wang Wei, Xu Liang, Hu Lulu, Chong Jenny, He Chuan, Wang Dong. 2017. Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing Journal of the American Chemical Society

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 2KH
Residue . / 1805
Chain R / A
Non-redundant True
Interacting RNA chains M/R
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains M/R: unknown
RNA family global unknown
Volume 550.86 Å3
Hydrophobicity 0.371
Hydrophilicity 1.116
Buriedness 0.778
Don/acc character 1.201
SiteScore 1.054
D Score 1.043
Kd