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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2bee

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 2.60
System mass 15.53 kDa
Deposition year 2005
Molecule type RNA
# RNA entities 1
Organism Streptomyces
RCSB PDB Entry 2bee
Reference François Boris, Szychowski Janek, Adhikari Susanta Sekhar, Pachamuthu Kandasamy, Swayze Eric E., Griffey Richard H., Migawa Michael T., Westhof Eric, Hanessian Stephen. 2004. Antibacterial Aminoglycosides with a Modified Mode of Binding to the Ribosomal‐RNA Decoding Site 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 JS4
Residue . / 50
Chain C / A
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 370.78 Å3
Hydrophobicity 0.074
Hydrophilicity 0.967
Buriedness 0.619
Don/acc character 1.839
SiteScore 1.066
D Score 0.938
Kd 0.10uM

Compound JS4
Residue . / 51
Chain D / B
Non-redundant True
Interacting RNA chains B/B, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA, B/B: rRNA
RNA family global rRNA
Volume 319.33 Å3
Hydrophobicity 0.100
Hydrophilicity 0.898
Buriedness 0.599
Don/acc character 2.655
SiteScore 1.030
D Score 0.902
Kd 0.10uM