HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4pdq

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 3.00
System mass 15.51 kDa
Deposition year 2014
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 4pdq
Reference Hanessian S., Saavedra O. M., Vilchis-Reyes M. A., Maianti J. P., Kanazawa H., Dozzo P., Matias R. D., Serio A., Kondo J.. 2014. Synthesis, broad spectrum antibacterial activity, and X-ray co-crystal structure of the decoding bacterial ribosomal A-site with 4′-deoxy-4′-fluoro neomycin analogs Chem. Sci.
Equivalence Class NR_all_35024.1
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 NMZ
Residue . / 101
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 -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd