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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6t3k

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 3.44
System mass 132.10 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 6t3k
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 . / 444
Chain TA / 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 94.33 Å3
Hydrophobicity 0.017
Hydrophilicity 1.129
Buriedness 0.665
Don/acc character 1.831
SiteScore 0.679
D Score 0.395
Kd

Compound EPE
Residue . / 445
Chain UA / 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 . / 448
Chain XA / 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 91.24 Å3
Hydrophobicity 0.019
Hydrophilicity 0.813
Buriedness 0.520
Don/acc character 2.960
SiteScore 0.937
D Score 0.811
Kd

Compound SPM
Residue . / 449
Chain YA / 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 264.11 Å3
Hydrophobicity 0.065
Hydrophilicity 1.049
Buriedness 0.650
Don/acc character 1.188
SiteScore 0.831
D Score 0.620
Kd

Compound SPM
Residue . / 450
Chain ZA / 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 266.85 Å3
Hydrophobicity 0.145
Hydrophilicity 1.052
Buriedness 0.661
Don/acc character 2.594
SiteScore 0.832
D Score 0.618
Kd