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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8cgv

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 1.66
System mass 1332.80 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 8cgv
Reference Paternoga H, Crowe-McAuliffe C, Bock LV, Koller TO, Morici M, Beckert B, Myasnikov AG, Grubmuller H, Novacek J, Wilson DN. 2023. Pending: 10.1038/s41594-023-01047-y
Equivalence Class NR_all_83717.185
BGSU version: 4.48

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 . / 3003
Chain GA / a
Non-redundant True
Interacting RNA chains E/a
RNA environment detailled ion
RNA environment global RNA
RNA family chains E/a: rRNA
RNA family global rRNA
Volume 463.39 Å3
Hydrophobicity 0.897
Hydrophilicity 0.812
Buriedness 0.774
Don/acc character 1.661
SiteScore 1.180
D Score 1.056
Kd —

Compound P8F
Residue . / 3001
Chain EA / a
Non-redundant True
Interacting RNA chains E/a
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains E/a: rRNA
RNA family global rRNA
Volume 626.66 Å3
Hydrophobicity 0.209
Hydrophilicity 1.239
Buriedness 0.713
Don/acc character 1.567
SiteScore 1.160
D Score 0.964
Kd —

Compound P8F
Residue . / 3002
Chain FA / a
Non-redundant True
Interacting RNA chains E/a
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains E/a: rRNA
RNA family global rRNA
Volume 170.13 Å3
Hydrophobicity 0.168
Hydrophilicity 1.574
Buriedness 0.695
Don/acc character 0.798
SiteScore 0.953
D Score 0.594
Kd —