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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6xqd

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 2.80
System mass 4470.35 kDa
Deposition year 2020
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 6xqd
Reference Batool Zahra, Lomakin Ivan B., Polikanov Yury S., Bunick Christopher G.. 2020. Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome 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 V7A
Residue . / 1835
Chain JJB / 1a
Non-redundant True
Interacting RNA chains FA/1a
RNA environment detailled ion
RNA environment global RNA
RNA family chains FA/1a: rRNA
RNA family global rRNA
Volume 124.51 Å3
Hydrophobicity 0.000
Hydrophilicity 1.604
Buriedness 0.690
Don/acc character 0.814
SiteScore 0.743
D Score 0.726
Kd

Compound V7A
Residue . / 3210
Chain RCD / 2a
Non-redundant True
Interacting RNA chains HC/2a
RNA environment detailled ion
RNA environment global RNA
RNA family chains HC/2a: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd