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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8ev7

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 2.89
System mass 4560.66 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8ev7
Reference Seely Savannah M., Parajuli Narayan P., De Tarafder Arindam, Ge Xueliang, Sanyal Suparna, Gagnon Matthieu G.. 2023. Molecular basis of the pleiotropic effects by the antibiotic amikacin on the ribosome Nature Communications
Equivalence Class NR_all_65795.87, NR_all_97519.80
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 KAN
Residue . / 3933
Chain ENA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 443.84 Å3
Hydrophobicity 0.038
Hydrophilicity 1.870
Buriedness 0.697
Don/acc character 1.033
SiteScore 1.149
D Score 0.748
Kd

Compound KAN
Residue . / 3934
Chain FNA / 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 483.97 Å3
Hydrophobicity 0.083
Hydrophilicity 1.737
Buriedness 0.670
Don/acc character 1.032
SiteScore 1.131
D Score 0.776
Kd

Compound KAN
Residue . / 3935
Chain GNA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 684.29 Å3
Hydrophobicity 0.126
Hydrophilicity 1.160
Buriedness 0.745
Don/acc character 1.661
SiteScore 1.181
D Score 1.009
Kd

Compound KAN
Residue . / 1955
Chain FEB / 1a
Non-redundant True
Interacting RNA chains FA/1a
RNA environment detailled ion
RNA environment global RNA
RNA family chains FA/1a: rRNA
RNA family global rRNA
Volume 725.10 Å3
Hydrophobicity 0.039
Hydrophilicity 1.260
Buriedness 0.690
Don/acc character 1.404
SiteScore 0.994
D Score 0.943
Kd

Compound KAN
Residue . / 3568
Chain ACC / 2A
Non-redundant True
Interacting RNA chains EB/2A
RNA environment detailled ion
RNA environment global RNA
RNA family chains EB/2A: rRNA
RNA family global rRNA
Volume 494.95 Å3
Hydrophobicity 0.022
Hydrophilicity 1.670
Buriedness 0.678
Don/acc character 1.042
SiteScore 0.987
D Score 0.802
Kd

Compound KAN
Residue . / 3569
Chain BCC / 2A
Non-redundant True
Interacting RNA chains EB/2A
RNA environment detailled ion
RNA environment global RNA
RNA family chains EB/2A: rRNA
RNA family global rRNA
Volume 572.81 Å3
Hydrophobicity 0.083
Hydrophilicity 1.634
Buriedness 0.734
Don/acc character 0.664
SiteScore 1.174
D Score 0.848
Kd

Compound KAN
Residue . / 1828
Chain JMC / 2a
Non-redundant True
Interacting RNA chains JC/2a
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains JC/2a: rRNA
RNA family global rRNA
Volume 302.53 Å3
Hydrophobicity 0.105
Hydrophilicity 0.940
Buriedness 0.693
Don/acc character 1.454
SiteScore 0.860
D Score 0.849
Kd