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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8fc3

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 2.60
System mass 4428.57 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8fc3
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 LRA / 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 121.77 Å3
Hydrophobicity 0.028
Hydrophilicity 2.163
Buriedness 0.640
Don/acc character 1.422
SiteScore 0.907
D Score 0.357
Kd

Compound ARG
Residue . / 321
Chain GTA / 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 HGR
Residue . / 4018
Chain FQA / 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 419.49 Å3
Hydrophobicity 0.904
Hydrophilicity 0.995
Buriedness 0.774
Don/acc character 0.711
SiteScore 1.210
D Score 1.080
Kd

Compound HGR
Residue . / 3738
Chain ELC / 2A
Non-redundant True
Interacting RNA chains BB/2A
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains BB/2A: rRNA
RNA family global rRNA
Volume 701.44 Å3
Hydrophobicity 0.660
Hydrophilicity 1.361
Buriedness 0.731
Don/acc character 0.774
SiteScore 1.172
D Score 0.935
Kd

Compound TEL
Residue . / 4019
Chain GQA / 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 113.19 Å3
Hydrophobicity 0.147
Hydrophilicity 1.126
Buriedness 0.594
Don/acc character 0.513
SiteScore 0.805
D Score 0.641
Kd

Compound TEL
Residue . / 3739
Chain FLC / 2A
Non-redundant True
Interacting RNA chains BB/2A
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains BB/2A: rRNA
RNA family global rRNA
Volume 114.22 Å3
Hydrophobicity 0.029
Hydrophilicity 1.566
Buriedness 0.587
Don/acc character 0.333
SiteScore 0.737
D Score 0.539
Kd