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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7n2c

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 2.72
System mass 2363.63 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 7n2c
Reference Rundlet Emily J., Holm Mikael, Schacherl Magdalena, Natchiar S. Kundhavai, Altman Roger B., Spahn Christian M. T., Myasnikov Alexander G., Blanchard Scott C.. 2021. Structural basis of early translocation events on the ribosome Nature
Equivalence Class NR_all_83717.187
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 . / 3001
Chain CD / 23
Non-redundant True
Interacting RNA chains W/23
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains W/23: rRNA
RNA family global rRNA
Volume 31.56 Å3
Hydrophobicity 0.074
Hydrophilicity 1.298
Buriedness 0.589
Don/acc character 0.382
SiteScore 0.522
D Score 0.351
Kd

Compound ATP
Residue . / 3002
Chain DD / 23
Non-redundant True
Interacting RNA chains W/23
RNA environment detailled ion
RNA environment global RNA
RNA family chains W/23: rRNA
RNA family global rRNA
Volume 172.19 Å3
Hydrophobicity 0.279
Hydrophilicity 1.171
Buriedness 0.654
Don/acc character 1.566
SiteScore 0.978
D Score 0.768
Kd

Compound FUA
Residue . / 802
Chain BK / EF
Non-redundant True
Interacting RNA chains W/23
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains W/23: rRNA
RNA family global rRNA
Volume 346.43 Å3
Hydrophobicity 0.775
Hydrophilicity 1.084
Buriedness 0.702
Don/acc character 0.288
SiteScore 1.002
D Score 1.008
Kd