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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1tob

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 Solution NMR
Experimental resolution N/A
System mass 9.13 kDa
Deposition year 1996
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1tob
Reference Jiang Licong, Suri Asif K., Fiala Radovan, Patel Dinshaw J.. 1997. Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex Chemistry & Biology
Equivalence Class NR_all_63125.1
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 TOA
Residue . / 28
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 157.78 Å3
Hydrophobicity 0.459
Hydrophilicity 0.937
Buriedness 0.669
Don/acc character 1.285
SiteScore 0.980
D Score 0.818
Kd

Compound TOC
Residue . / 30
Chain C / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd