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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1yrj

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 15.85 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1yrj
Reference Han Qing, Zhao Qiang, Fish Sarah, Simonsen Klaus B., Vourloumis Dionisios, Froelich Jamie M., Wall Daniel, Hermann Thomas. 2005. Molecular Recognition by Glycoside Pseudo Base Pairs and Triples in an Apramycin–RNA Complex 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 AM2
Residue . / 151
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 120.05 Å3
Hydrophobicity 0.193
Hydrophilicity 0.778
Buriedness 0.547
Don/acc character 2.651
SiteScore 0.853
D Score 0.698
Kd

Compound AM2
Residue . / 150
Chain E / 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 375.59 Å3
Hydrophobicity 0.129
Hydrophilicity 1.041
Buriedness 0.639
Don/acc character 1.673
SiteScore 1.049
D Score 0.905
Kd