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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cgu

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 1.89
System mass 1599.80 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8cgu
Reference Paternoga Helge, Crowe-McAuliffe Caillan, Bock Lars V., Koller Timm O., Morici Martino, Beckert Bertrand, Myasnikov Alexander G., Grubmüller Helmut, Nováček Jiří, Wilson Daniel N.. 2023. Structural conservation of antibiotic interaction with ribosomes Nature Structural & Molecular Biology
Equivalence Class NR_all_56726.172
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 LLL
Residue . / 1603
Chain Q / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 53.85 Å3
Hydrophobicity 0.135
Hydrophilicity 0.784
Buriedness 0.543
Don/acc character 2.405
SiteScore 0.802
D Score 0.634
Kd

Compound LLL
Residue . / 1604
Chain R / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 597.51 Å3
Hydrophobicity 0.101
Hydrophilicity 1.158
Buriedness 0.748
Don/acc character 2.449
SiteScore 1.183
D Score 1.011
Kd

Compound LLL
Residue . / 1605
Chain S / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 178.70 Å3
Hydrophobicity 0.079
Hydrophilicity 0.959
Buriedness 0.658
Don/acc character 3.562
SiteScore 0.787
D Score 0.571
Kd

Compound LLL
Residue . / 1606
Chain T / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd