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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8emm

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 2.10
System mass 2210.53 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8emm
Reference Watson Zoe L., Knudson Isaac J., Ward Fred R., Miller Scott J., Cate Jamie H. D., Schepartz Alanna, Abramyan Ara M.. 2023. Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates Nature Chemistry
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 PAR
Residue . / 1601
Chain CL / A
Non-redundant True
Interacting RNA chains HA/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains HA/A: rRNA
RNA family global rRNA
Volume 288.81 Å3
Hydrophobicity 0.059
Hydrophilicity 1.093
Buriedness 0.700
Don/acc character 1.475
SiteScore 0.944
D Score 0.930
Kd

Compound SPM
Residue . / 6219
Chain NJ / 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 331.34 Å3
Hydrophobicity 0.262
Hydrophilicity 1.064
Buriedness 0.740
Don/acc character 1.502
SiteScore 1.003
D Score 0.813
Kd