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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8e42

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 2.29
System mass 1110.32 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8e42
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 MUL
Residue . / 3001
Chain K / I
Non-redundant True
Interacting RNA chains A/I
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/I: rRNA
RNA family global rRNA
Volume 620.83 Å3
Hydrophobicity 0.728
Hydrophilicity 0.924
Buriedness 0.795
Don/acc character 1.725
SiteScore 1.237
D Score 1.116
Kd

Compound ZIT
Residue . / 3002
Chain L / I
Non-redundant True
Interacting RNA chains A/I
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains A/I: rRNA
RNA family global rRNA
Volume 459.62 Å3
Hydrophobicity 0.166
Hydrophilicity 1.281
Buriedness 0.783
Don/acc character 1.492
SiteScore 1.011
D Score 0.934
Kd