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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3td1

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 2.10
System mass 15.89 kDa
Deposition year 2011
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 3td1
Reference Kondo Jiro. 2012. A Structural Basis for the Antibiotic Resistance Conferred by an A1408G Mutation in 16S rRNA and for the Antiprotozoal Activity of Aminoglycosides Angewandte Chemie International Edition
Equivalence Class NR_all_71199.7
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 GET
Residue . / 50
Chain C / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 125.20 Å3
Hydrophobicity 0.116
Hydrophilicity 0.922
Buriedness 0.592
Don/acc character 1.513
SiteScore 0.833
D Score 0.649
Kd

Compound GET
Residue . / 51
Chain D / B
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 94.67 Å3
Hydrophobicity 0.109
Hydrophilicity 0.981
Buriedness 0.583
Don/acc character 0.947
SiteScore 0.797
D Score 0.602
Kd