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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7o7y

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 Electron Microscopy
Experimental resolution 2.20
System mass 4070.87 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Betacoronavirus
RCSB PDB Entry 7o7y
Reference Bhatt Pramod R., Scaiola Alain, Loughran Gary, Leibundgut Marc, Kratzel Annika, Meurs Romane, Dreos René, O’Connor Kate M., McMillan Angus, Bode Jeffrey W., Thiel Volker, Gatfield David, Atkins John F., Ban Nenad. 2021. Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome Science
Equivalence Class NR_all_21280.51, NR_all_06650.50
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 SPM
Residue . / 1909
Chain QC / A2
Non-redundant True
Interacting RNA chains A/A2
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A2: rRNA
RNA family global rRNA
Volume 766.61 Å3
Hydrophobicity 0.335
Hydrophilicity 1.011
Buriedness 0.766
Don/acc character 2.327
SiteScore 1.201
D Score 1.070
Kd

Compound SPM
Residue . / 4912
Chain FK / B5
Non-redundant True
Interacting RNA chains MA/B5
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains MA/B5: rRNA
RNA family global rRNA
Volume 556.69 Å3
Hydrophobicity 0.019
Hydrophilicity 1.363
Buriedness 0.770
Don/acc character 0.993
SiteScore 1.048
D Score 0.958
Kd

Compound SPM
Residue . / 4915
Chain IK / B5
Non-redundant True
Interacting RNA chains MA/B5
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains MA/B5: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd