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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6qul

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 Electron Microscopy
Experimental resolution 3.00
System mass 1319.25 kDa
Deposition year 2019
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 6qul
Reference Scaiola Alain, Leibundgut Marc, Boehringer Daniel, Caspers Patrick, Bur Daniel, Locher Hans H., Rueedi Georg, Ritz Daniel. 2019. Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic Scientific Reports
Equivalence Class NR_all_83717.187, NR_all_10157.185, NR_all_52422.1
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 AMP
Residue . / 3001
Chain HA / A
Non-redundant True
Interacting RNA chains B/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/A: rRNA
RNA family global rRNA
Volume 402.34 Å3
Hydrophobicity 0.209
Hydrophilicity 1.596
Buriedness 0.701
Don/acc character 1.030
SiteScore 1.002
D Score 0.840
Kd

Compound JJH
Residue . / 3370
Chain MO / A
Non-redundant False
Interacting RNA chains A/1, B/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/1: tRNA, B/A: rRNA
RNA family global multiple
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd