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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5ju8

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 3.60
System mass 2198.88 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5ju8
Reference Arenz Stefan, Bock Lars V., Graf Michael, Innis C. Axel, Beckmann Roland, Grubmüller Helmut, Vaiana Andrea C., Wilson Daniel N.. 2016. A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest Nature Communications
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 ERY
Residue . / 9000
Chain EB / BA
Non-redundant True
Interacting RNA chains Y/BA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains Y/BA: rRNA
RNA family global rRNA
Volume 652.39 Å3
Hydrophobicity 0.550
Hydrophilicity 1.200
Buriedness 0.833
Don/acc character 1.756
SiteScore 1.240
D Score 1.049
Kd