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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3vnu

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 3.20
System mass 147.09 kDa
Deposition year 2012
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3vnu
Reference Takeshita Daijiro, Yamashita Seisuke, Tomita Kozo. 2012. Mechanism for Template-Independent Terminal Adenylation Activity of Qβ Replicase Structure
Equivalence Class NR_all_99451.3
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 ATP
Residue . / 2501
Chain D / A
Non-redundant False
Interacting RNA chains B/G, C/T
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/G: unknown, C/T: unknown
RNA family global unknown
Volume 312.13 Å3
Hydrophobicity 0.732
Hydrophilicity 1.403
Buriedness 0.869
Don/acc character 0.846
SiteScore 0.958
D Score 0.804
Kd