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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cgr

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 2.12
System mass 1599.76 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8cgr
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_83717.187, 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 AM2
Residue . / 1603
Chain Q / A
Non-redundant True
Interacting RNA chains A/A, N/a
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, N/a: rRNA
RNA family global rRNA
Volume 308.70 Å3
Hydrophobicity 0.132
Hydrophilicity 1.037
Buriedness 0.671
Don/acc character 2.352
SiteScore 1.133
D Score 1.005
Kd

Compound AM2
Residue . / 1604
Chain R / 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 699.03 Å3
Hydrophobicity 0.150
Hydrophilicity 1.098
Buriedness 0.708
Don/acc character 1.855
SiteScore 1.157
D Score 1.007
Kd

Compound AM2
Residue . / 1605
Chain S / 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 55.91 Å3
Hydrophobicity 0.110
Hydrophilicity 0.901
Buriedness 0.605
Don/acc character 3.103
SiteScore 0.675
D Score 0.446
Kd