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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7ryf

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 2.65
System mass 2162.70 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Acinetobacter
RCSB PDB Entry 7ryf
Reference Morgan Christopher E., Zhang Zhemin, Bonomo Robert A., Yu Edward W.. 2022. An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii mBio
Equivalence Class NR_all_43481.6
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 80P
Residue . / 1601
Chain CB / a
Non-redundant True
Interacting RNA chains EA/a
RNA environment detailled ion
RNA environment global RNA
RNA family chains EA/a: rRNA
RNA family global rRNA
Volume 178.70 Å3
Hydrophobicity 0.050
Hydrophilicity 1.220
Buriedness 0.665
Don/acc character 4.215
SiteScore 0.562
D Score 0.525
Kd

Compound 80P
Residue . / 1602
Chain DB / a
Non-redundant True
Interacting RNA chains EA/a
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains EA/a: rRNA
RNA family global rRNA
Volume 181.10 Å3
Hydrophobicity 0.423
Hydrophilicity 0.976
Buriedness 0.723
Don/acc character 3.725
SiteScore 0.656
D Score 0.680
Kd

Compound 80P
Residue . / 1603
Chain EB / a
Non-redundant True
Interacting RNA chains EA/a
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains EA/a: rRNA
RNA family global rRNA
Volume 225.35 Å3
Hydrophobicity 0.191
Hydrophilicity 1.216
Buriedness 0.772
Don/acc character 3.032
SiteScore 0.858
D Score 0.527
Kd