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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cai

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 2.08
System mass 711.69 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8cai
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 5I0
Residue . / 1606
Chain U / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 112.16 Å3
Hydrophobicity 0.072
Hydrophilicity 1.042
Buriedness 0.671
Don/acc character 1.703
SiteScore 0.743
D Score 0.504
Kd

Compound HY0
Residue . / 1603
Chain R / 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 121.77 Å3
Hydrophobicity 0.012
Hydrophilicity 0.923
Buriedness 0.660
Don/acc character 3.048
SiteScore 0.646
D Score 0.392
Kd

Compound HY0
Residue . / 1604
Chain S / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 338.20 Å3
Hydrophobicity 0.274
Hydrophilicity 1.160
Buriedness 0.803
Don/acc character 1.519
SiteScore 1.087
D Score 0.873
Kd

Compound HY0
Residue . / 1605
Chain T / 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 104.96 Å3
Hydrophobicity 0.574
Hydrophilicity 1.091
Buriedness 0.679
Don/acc character 1.165
SiteScore 0.748
D Score 0.493
Kd

Compound SCM
Residue . / 1607
Chain V / 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 711.04 Å3
Hydrophobicity 0.022
Hydrophilicity 1.431
Buriedness 0.778
Don/acc character 1.284
SiteScore 1.204
D Score 0.940
Kd