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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6t3r

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 3.57
System mass 132.25 kDa
Deposition year 2019
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 6t3r
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 . / 447
Chain WA / 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 120.74 Å3
Hydrophobicity 0.019
Hydrophilicity 1.130
Buriedness 0.688
Don/acc character 1.672
SiteScore 0.694
D Score 0.408
Kd

Compound EPE
Residue . / 454
Chain DB / 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 SPM
Residue . / 452
Chain BB / 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 240.10 Å3
Hydrophobicity 0.142
Hydrophilicity 0.990
Buriedness 0.616
Don/acc character 1.015
SiteScore 0.793
D Score 0.587
Kd

Compound SPM
Residue . / 453
Chain CB / 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 207.17 Å3
Hydrophobicity 0.167
Hydrophilicity 1.245
Buriedness 0.728
Don/acc character 1.577
SiteScore 0.811
D Score 0.510
Kd