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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6xhx

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 X-ray
Experimental resolution 2.55
System mass 4426.86 kDa
Deposition year 2020
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 6xhx
Reference Svetlov Maxim S., Syroegin Egor A., Aleksandrova Elena V., Atkinson Gemma C., Gregory Steven T., Mankin Alexander S., Polikanov Yury S.. 2021. Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance Nature Chemical Biology
Equivalence Class NR_all_97519.80, NR_all_42622.80
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 ARG
Residue . / 233
Chain QRA / 1B
Non-redundant True
Interacting RNA chains B/1B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/1B: rRNA
RNA family global rRNA
Volume 125.20 Å3
Hydrophobicity 0.029
Hydrophilicity 1.949
Buriedness 0.562
Don/acc character 1.013
SiteScore 0.939
D Score 0.488
Kd

Compound ARG
Residue . / 319
Chain JTA / 1F
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound ERY
Residue . / 4021
Chain IQA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 559.43 Å3
Hydrophobicity 0.277
Hydrophilicity 1.736
Buriedness 0.748
Don/acc character 0.425
SiteScore 1.183
D Score 0.823
Kd

Compound ERY
Residue . / 3734
Chain SKC / 2A
Non-redundant True
Interacting RNA chains BB/2A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains BB/2A: rRNA
RNA family global rRNA
Volume 658.90 Å3
Hydrophobicity 0.673
Hydrophilicity 1.297
Buriedness 0.747
Don/acc character 0.699
SiteScore 1.183
D Score 0.965
Kd