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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v97

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 3.52
System mass 4576.93 kDa
Deposition year 2012
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4v97
Reference Fagan Crystal E., Dunkle Jack A., Maehigashi Tatsuya, Dang Mai N., Devaraj Aishwarya, Miles Stacey J., Qin Daoming, Fredrick Kurt, Dunham Christine M.. 2013. Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65795.87
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 PAR
Residue . / 7111
Chain QH / AA
Non-redundant False
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 259.65 Å3
Hydrophobicity 0.156
Hydrophilicity 1.339
Buriedness 0.692
Don/acc character 1.692
SiteScore 1.097
D Score 0.856
Kd

Compound PAR
Residue . / 1741
Chain MAA / CA
Non-redundant True
Interacting RNA chains FB/CA
RNA environment detailled ion
RNA environment global RNA
RNA family chains FB/CA: rRNA
RNA family global rRNA
Volume 237.01 Å3
Hydrophobicity 0.142
Hydrophilicity 1.606
Buriedness 0.707
Don/acc character 1.299
SiteScore 1.111
D Score 0.783
Kd