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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4tue

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 3.50
System mass 4440.06 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4tue
Reference Fagan Crystal E., Maehigashi Tatsuya, Dunkle Jack A., Miles Stacey J., Dunham Christine M.. 2014. Structural insights into translational recoding by frameshift suppressor tRNASufJ RNA
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 PAR
Residue . / 1693
Chain WG / QA
Non-redundant True
Interacting RNA chains A/QA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/QA: rRNA
RNA family global rRNA
Volume 583.10 Å3
Hydrophobicity 0.050
Hydrophilicity 1.312
Buriedness 0.681
Don/acc character 2.007
SiteScore 1.139
D Score 0.921
Kd

Compound PAR
Residue . / 1715
Chain BY / XA
Non-redundant True
Interacting RNA chains EB/XA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/XA: rRNA
RNA family global rRNA
Volume 324.14 Å3
Hydrophobicity 0.117
Hydrophilicity 1.088
Buriedness 0.700
Don/acc character 2.348
SiteScore 1.129
D Score 0.977
Kd