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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3avt

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 2.61
System mass 144.69 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3avt
Reference Takeshita Daijiro, Tomita Kozo. 2012. Molecular basis for RNA polymerization by Qβ replicase Nature Structural & Molecular Biology
Equivalence Class NR_all_75747.1
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 GH3
Residue . / 2502
Chain C / A
Non-redundant False
Interacting RNA chains B/T
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains B/T: unknown
RNA family global unknown
Volume 722.02 Å3
Hydrophobicity 0.174
Hydrophilicity 1.485
Buriedness 0.815
Don/acc character 0.775
SiteScore 1.078
D Score 0.945
Kd

Compound GH3
Residue . / 2501
Chain F / T
Non-redundant False
Interacting RNA chains B/T
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains B/T: unknown
RNA family global unknown
Volume 531.31 Å3
Hydrophobicity 0.427
Hydrophilicity 1.282
Buriedness 0.786
Don/acc character 1.134
SiteScore 1.059
D Score 0.994
Kd