HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4ndi

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 1.90
System mass 55.90 kDa
Deposition year 2013
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 4ndi
Reference Tumbale Percy, Williams Jessica S., Schellenberg Matthew J., Kunkel Thomas A., Williams R. Scott. 2014. Aprataxin resolves adenylated RNA–DNA junctions to maintain genome integrity Nature

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 AMP
Residue . / 401
Chain G / A
Non-redundant True
Interacting RNA chains C/D
RNA environment detailled DNA, protein
RNA environment global RNA/DNA/Protein
RNA family chains C/D: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound AMP
Residue . / 401
Chain L / B
Non-redundant True
Interacting RNA chains E/G
RNA environment detailled DNA, protein
RNA environment global RNA/DNA/Protein
RNA family chains E/G: unknown
RNA family global unknown
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd