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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4lel

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 3.90
System mass 4435.75 kDa
Deposition year 2013
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4lel
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 . / 1666
Chain VF / QA
Non-redundant True
Interacting RNA chains A/QA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/QA: rRNA
RNA family global rRNA
Volume 299.10 Å3
Hydrophobicity 0.074
Hydrophilicity 1.107
Buriedness 0.699
Don/acc character 2.312
SiteScore 1.082
D Score 0.910
Kd

Compound PAR
Residue . / 1671
Chain MS / 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 343.34 Å3
Hydrophobicity 0.122
Hydrophilicity 1.116
Buriedness 0.721
Don/acc character 2.371
SiteScore 1.046
D Score 0.855
Kd