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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8fc5

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 2.65
System mass 4427.72 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8fc5
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 ZRA / 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 218.83 Å3
Hydrophobicity 0.015
Hydrophilicity 1.851
Buriedness 0.576
Don/acc character 1.070
SiteScore 1.042
D Score 0.649
Kd

Compound ARG
Residue . / 319
Chain UTA / 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 . / 4032
Chain TQA / 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 498.38 Å3
Hydrophobicity 1.017
Hydrophilicity 0.939
Buriedness 0.801
Don/acc character 0.852
SiteScore 1.238
D Score 1.114
Kd

Compound HGR
Residue . / 3712
Chain SKC / 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 507.30 Å3
Hydrophobicity 0.834
Hydrophilicity 1.407
Buriedness 0.773
Don/acc character 0.540
SiteScore 1.200
D Score 0.945
Kd

Compound ZIT
Residue . / 4033
Chain UQA / 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 370.78 Å3
Hydrophobicity 0.319
Hydrophilicity 0.994
Buriedness 0.729
Don/acc character 0.791
SiteScore 1.142
D Score 1.005
Kd

Compound ZIT
Residue . / 3713
Chain TKC / 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 350.55 Å3
Hydrophobicity 0.913
Hydrophilicity 0.719
Buriedness 0.724
Don/acc character 1.325
SiteScore 1.210
D Score 1.116
Kd