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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4e8r

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 3.36
System mass 134.05 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 4e8r
Reference Marcia Marco, Pyle Anna Marie. 2012. Visualizing Group II Intron Catalysis through the Stages of Splicing Cell
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 . / 459
Chain HB / 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 . / 460
Chain IB / 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 145.78 Å3
Hydrophobicity 0.050
Hydrophilicity 0.765
Buriedness 0.508
Don/acc character 3.185
SiteScore 1.076
D Score 0.995
Kd

Compound EPE
Residue . / 461
Chain JB / 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 189.68 Å3
Hydrophobicity 0.056
Hydrophilicity 0.680
Buriedness 0.521
Don/acc character 3.337
SiteScore 1.101
D Score 1.031
Kd

Compound EPE
Residue . / 462
Chain KB / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 176.30 Å3
Hydrophobicity 0.081
Hydrophilicity 1.161
Buriedness 0.687
Don/acc character 1.901
SiteScore 0.811
D Score 0.549
Kd