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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6t3s

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 3.28
System mass 130.61 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 6t3s
Reference Manigrasso Jacopo, Chillón Isabel, Genna Vito, Vidossich Pietro, Somarowthu Srinivas, Pyle Anna Marie, De Vivo Marco, Marcia Marco. 2020. Visualizing group II intron dynamics between the first and second steps of splicing Nature Communications
Equivalence Class NR_all_35054.12
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 EPE
Residue . / 428
Chain CA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 74.43 Å3
Hydrophobicity 0.030
Hydrophilicity 0.740
Buriedness 0.505
Don/acc character 3.230
SiteScore 0.785
D Score 0.626
Kd

Compound EPE
Residue . / 430
Chain EA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound EPE
Residue . / 431
Chain FA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 331.68 Å3
Hydrophobicity 0.046
Hydrophilicity 0.887
Buriedness 0.660
Don/acc character 3.109
SiteScore 0.896
D Score 0.716
Kd