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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4e8k

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 3.03
System mass 133.91 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 4e8k
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 . / 441
Chain QA / 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 . / 443
Chain SA / 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 69.29 Å3
Hydrophobicity 0.545
Hydrophilicity 0.709
Buriedness 0.661
Don/acc character 1.092
SiteScore 0.699
D Score 0.477
Kd

Compound EPE
Residue . / 446
Chain VA / 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 242.50 Å3
Hydrophobicity 0.063
Hydrophilicity 0.928
Buriedness 0.668
Don/acc character 1.611
SiteScore 0.865
D Score 0.670
Kd

Compound EPE
Residue . / 447
Chain WA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: ribozyme
RNA family global ribozyme
Volume 212.66 Å3
Hydrophobicity 0.016
Hydrophilicity 0.666
Buriedness 0.482
Don/acc character 3.106
SiteScore 1.078
D Score 1.012
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 116.96 Å3
Hydrophobicity 0.019
Hydrophilicity 0.819
Buriedness 0.535
Don/acc character 2.700
SiteScore 1.084
D Score 0.994
Kd

Compound SPM
Residue . / 445
Chain UA / 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 254.51 Å3
Hydrophobicity 0.253
Hydrophilicity 1.124
Buriedness 0.701
Don/acc character 1.755
SiteScore 0.973
D Score 0.764
Kd