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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8ca7

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 2.06
System mass 626.74 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8ca7
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 SCM
Residue . / 1603
Chain L / 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 751.86 Å3
Hydrophobicity 0.068
Hydrophilicity 1.450
Buriedness 0.810
Don/acc character 1.300
SiteScore 1.075
D Score 0.953
Kd

Compound U3B
Residue . / 1602
Chain K / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 181.45 Å3
Hydrophobicity 0.227
Hydrophilicity 1.049
Buriedness 0.739
Don/acc character 2.607
SiteScore 0.925
D Score 0.718
Kd