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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4faw

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 2.70
System mass 133.14 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism Oceanobacillus
RCSB PDB Entry 4faw
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 . / 453
Chain CB / 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 64.14 Å3
Hydrophobicity 0.383
Hydrophilicity 0.706
Buriedness 0.644
Don/acc character 2.296
SiteScore 0.689
D Score 0.468
Kd

Compound EPE
Residue . / 455
Chain EB / 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 65.17 Å3
Hydrophobicity 0.036
Hydrophilicity 0.780
Buriedness 0.530
Don/acc character 3.892
SiteScore 0.824
D Score 0.665
Kd

Compound SPM
Residue . / 452
Chain BB / 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 234.96 Å3
Hydrophobicity 0.180
Hydrophilicity 0.971
Buriedness 0.661
Don/acc character 0.884
SiteScore 0.814
D Score 0.604
Kd