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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5f8i

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 2.50
System mass 70.63 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 5f8i
Reference Shu Bo, Gong Peng. 2016. Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation Proceedings of the National Academy of Sciences
Equivalence Class NR_all_20758.4
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 CTP
Residue . / 1001
Chain D / A
Non-redundant True
Interacting RNA chains B/B, C/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/B: synthetic construct, C/C: synthetic construct
RNA family global synthetic construct
Volume 642.78 Å3
Hydrophobicity 0.362
Hydrophilicity 1.277
Buriedness 0.823
Don/acc character 0.701
SiteScore 1.084
D Score 1.017
Kd