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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4fau

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 2.87
System mass 130.74 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 4fau
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 . / 426
Chain AA / 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 . / 427
Chain BA / 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 73.75 Å3
Hydrophobicity 0.010
Hydrophilicity 0.918
Buriedness 0.513
Don/acc character 1.717
SiteScore 1.004
D Score 0.890
Kd

Compound EPE
Residue . / 428
Chain CA / A
Non-redundant True
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 294.29 Å3
Hydrophobicity 0.072
Hydrophilicity 0.893
Buriedness 0.621
Don/acc character 2.220
SiteScore 1.127
D Score 1.021
Kd

Compound SPM
Residue . / 425
Chain Z / 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 59.68 Å3
Hydrophobicity 0.036
Hydrophilicity 1.720
Buriedness 0.580
Don/acc character 1.037
SiteScore 0.726
D Score 0.285
Kd