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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4l47

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 3.22
System mass 4435.94 kDa
Deposition year 2013
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4l47
Reference Maehigashi Tatsuya, Dunkle Jack A., Miles Stacey J., Dunham Christine M.. 2014. Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops 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 PAR
Residue . / 1667
Chain WF / 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 261.71 Å3
Hydrophobicity 0.105
Hydrophilicity 0.907
Buriedness 0.671
Don/acc character 3.826
SiteScore 0.987
D Score 0.829
Kd

Compound PAR
Residue . / 1673
Chain TS / XA
Non-redundant True
Interacting RNA chains DB/XA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains DB/XA: rRNA
RNA family global rRNA
Volume 51.79 Å3
Hydrophobicity 0.137
Hydrophilicity 0.823
Buriedness 0.552
Don/acc character 3.436
SiteScore 0.728
D Score 0.533
Kd