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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8ev6

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 2.95
System mass 4563.75 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8ev6
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_35542.167, 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 AKN
Residue . / 3936
Chain HNA / 1A
Non-redundant True
Interacting RNA chains A/1A, CB/1x
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1A: rRNA, CB/1x: tRNA
RNA family global multiple
Volume 630.43 Å3
Hydrophobicity 0.088
Hydrophilicity 1.803
Buriedness 0.710
Don/acc character 0.601
SiteScore 1.158
D Score 0.778
Kd

Compound AKN
Residue . / 3937
Chain INA / 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 407.14 Å3
Hydrophobicity 0.000
Hydrophilicity 2.794
Buriedness 0.737
Don/acc character 0.393
SiteScore 1.026
D Score 0.471
Kd

Compound AKN
Residue . / 202
Chain MPA / 1O
Non-redundant True
Interacting RNA chains A/1A, FA/1a
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA, FA/1a: rRNA
RNA family global rRNA
Volume 616.03 Å3
Hydrophobicity 0.054
Hydrophilicity 1.796
Buriedness 0.674
Don/acc character 0.727
SiteScore 0.984
D Score 0.759
Kd

Compound AKN
Residue . / 1913
Chain BDB / 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 628.38 Å3
Hydrophobicity 0.029
Hydrophilicity 1.357
Buriedness 0.701
Don/acc character 1.654
SiteScore 1.002
D Score 0.918
Kd

Compound AKN
Residue . / 1914
Chain CDB / 1a
Non-redundant True
Interacting RNA chains FA/1a
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains FA/1a: rRNA
RNA family global rRNA
Volume 300.81 Å3
Hydrophobicity 0.051
Hydrophilicity 0.980
Buriedness 0.672
Don/acc character 1.768
SiteScore 0.799
D Score 0.581
Kd

Compound AKN
Residue . / 3576
Chain BBC / 2A
Non-redundant True
Interacting RNA chains EB/2A, GD/2x
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/2A: rRNA, GD/2x: tRNA
RNA family global multiple
Volume 691.49 Å3
Hydrophobicity 0.192
Hydrophilicity 1.198
Buriedness 0.706
Don/acc character 0.894
SiteScore 1.155
D Score 0.973
Kd

Compound AKN
Residue . / 202
Chain GCC / 2O
Non-redundant True
Interacting RNA chains JC/2a, EB/2A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains EB/2A: rRNA, JC/2a: rRNA
RNA family global rRNA
Volume 637.64 Å3
Hydrophobicity 0.096
Hydrophilicity 1.317
Buriedness 0.691
Don/acc character 1.302
SiteScore 0.996
D Score 0.926
Kd

Compound AKN
Residue . / 1911
Chain XOC / 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 105.99 Å3
Hydrophobicity 0.037
Hydrophilicity 0.871
Buriedness 0.553
Don/acc character 3.866
SiteScore 0.761
D Score 0.571
Kd