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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5ndk

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 4521.81 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 5ndk
Reference Prokhorova Irina, Altman Roger B., Djumagulov Muminjon, Shrestha Jaya P., Urzhumtsev Alexandre, Ferguson Angelica, Chang Cheng-Wei Tom, Yusupov Marat, Blanchard Scott C., Yusupova Gulnara. 2017. Aminoglycoside interactions and impacts on the eukaryotic ribosome Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65795.87
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 8UZ
Residue . / 2201
Chain ED / 13
Non-redundant True
Interacting RNA chains A/13
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/13: rRNA
RNA family global rRNA
Volume 44.59 Å3
Hydrophobicity 0.132
Hydrophilicity 0.830
Buriedness 0.551
Don/acc character 4.673
SiteScore 0.696
D Score 0.491
Kd

Compound 8UZ
Residue . / 2202
Chain FD / 13
Non-redundant True
Interacting RNA chains A/13
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/13: rRNA
RNA family global rRNA
Volume 177.67 Å3
Hydrophobicity 0.011
Hydrophilicity 1.248
Buriedness 0.720
Don/acc character 1.882
SiteScore 0.804
D Score 0.620
Kd

Compound 8UZ
Residue . / 2201
Chain OK / 1G
Non-redundant True
Interacting RNA chains J/1G
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains J/1G: rRNA
RNA family global rRNA
Volume 250.05 Å3
Hydrophobicity 0.069
Hydrophilicity 1.151
Buriedness 0.693
Don/acc character 2.420
SiteScore 0.972
D Score 0.757
Kd

Compound 8UZ
Residue . / 2202
Chain PK / 1G
Non-redundant True
Interacting RNA chains J/1G
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains J/1G: rRNA
RNA family global rRNA
Volume 173.90 Å3
Hydrophobicity 0.033
Hydrophilicity 1.045
Buriedness 0.676
Don/acc character 3.118
SiteScore 0.774
D Score 0.526
Kd