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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4aob

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 2.95
System mass 33.35 kDa
Deposition year 2012
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 4aob
Reference Schroeder Kersten T., Daldrop Peter, McPhee Scott A., Lilley David M.J.. 2012. Structure and folding of a rare, natural kink turn in RNA with an A•A pair at the 2b•2n position RNA
Equivalence Class NR_all_29205.1
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 SAM
Residue . / 1116
Chain W / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: riboswitch
RNA family global riboswitch
Volume 621.52 Å3
Hydrophobicity 0.363
Hydrophilicity 1.121
Buriedness 0.760
Don/acc character 1.300
SiteScore 1.192
D Score 1.031
Kd 0.49uM