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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8k82

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 3288.58 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 8k82
Reference Li Xiang, Wang Mengjiao, Denk Timo, Buschauer Robert, Li Yi, Beckmann Roland, Cheng Jingdong. 2024. Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline Nature Communications
Equivalence Class NR_all_90506.85, NR_all_03510.74
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 T1C
Residue . / 1990
Chain SF / C2
Non-redundant True
Interacting RNA chains A/C2
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/C2: rRNA
RNA family global rRNA
Volume 302.87 Å3
Hydrophobicity 0.022
Hydrophilicity 1.125
Buriedness 0.716
Don/acc character 2.229
SiteScore 1.072
D Score 0.888
Kd

Compound T1C
Residue . / 3401
Chain WF / C1
Non-redundant True
Interacting RNA chains D/C1
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains D/C1: rRNA
RNA family global rRNA
Volume 188.99 Å3
Hydrophobicity 0.028
Hydrophilicity 1.455
Buriedness 0.671
Don/acc character 1.569
SiteScore 0.976
D Score 0.668
Kd

Compound T1C
Residue . / 3402
Chain XF / C1
Non-redundant True
Interacting RNA chains D/C1
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains D/C1: rRNA
RNA family global rRNA
Volume 408.17 Å3
Hydrophobicity 0.055
Hydrophilicity 1.453
Buriedness 0.706
Don/acc character 1.270
SiteScore 1.155
D Score 0.890
Kd

Compound T1C
Residue . / 3403
Chain YF / C1
Non-redundant True
Interacting RNA chains D/C1, F/C3
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains D/C1: rRNA, F/C3: rRNA
RNA family global rRNA
Volume 325.16 Å3
Hydrophobicity 0.296
Hydrophilicity 1.111
Buriedness 0.710
Don/acc character 2.009
SiteScore 0.788
D Score 0.722
Kd

Compound T1C
Residue . / 3404
Chain ZF / C1
Non-redundant True
Interacting RNA chains D/C1
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains D/C1: rRNA
RNA family global rRNA
Volume 558.40 Å3
Hydrophobicity 0.149
Hydrophilicity 1.383
Buriedness 0.668
Don/acc character 0.912
SiteScore 0.980
D Score 0.890
Kd

Compound T1C
Residue . / 3405
Chain AG / C1
Non-redundant True
Interacting RNA chains D/C1
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains D/C1: rRNA
RNA family global rRNA
Volume 373.18 Å3
Hydrophobicity 0.064
Hydrophilicity 1.505
Buriedness 0.655
Don/acc character 1.060
SiteScore 0.729
D Score 0.842
Kd