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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8fc4

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 2.45
System mass 4426.45 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8fc4
Reference Chen Chih-Wei, Leimer Nadja, Syroegin Egor A., Dunand Clémence, Bulman Zackery P., Lewis Kim, Polikanov Yury S., Svetlov Maxim S.. 2023. Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A Nature Communications
Equivalence Class NR_all_97519.80, NR_all_42622.80
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 ARG
Residue . / 230
Chain TRA / 1B
Non-redundant True
Interacting RNA chains B/1B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/1B: rRNA
RNA family global rRNA
Volume 123.14 Å3
Hydrophobicity 0.034
Hydrophilicity 2.003
Buriedness 0.605
Don/acc character 0.929
SiteScore 0.913
D Score 0.426
Kd

Compound ARG
Residue . / 318
Chain KTA / 1F
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound ERY
Residue . / 4027
Chain OQA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 403.37 Å3
Hydrophobicity 0.253
Hydrophilicity 1.322
Buriedness 0.736
Don/acc character 0.667
SiteScore 1.025
D Score 0.951
Kd

Compound HGR
Residue . / 4026
Chain NQA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 772.09 Å3
Hydrophobicity 0.495
Hydrophilicity 1.455
Buriedness 0.735
Don/acc character 0.565
SiteScore 1.175
D Score 0.907
Kd

Compound HGR
Residue . / 3671
Chain QIC / 2A
Non-redundant True
Interacting RNA chains BB/2A
RNA environment detailled ion
RNA environment global RNA
RNA family chains BB/2A: rRNA
RNA family global rRNA
Volume 490.83 Å3
Hydrophobicity 0.900
Hydrophilicity 0.900
Buriedness 0.787
Don/acc character 1.222
SiteScore 1.236
D Score 1.119
Kd