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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8k2d

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 3.20
System mass 3327.24 kDa
Deposition year 2023
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 8k2d
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 GDP
Residue . / 902
Chain ZC / CD
Non-redundant True
Interacting RNA chains B/C1
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/C1: rRNA
RNA family global rRNA
Volume 451.73 Å3
Hydrophobicity 0.195
Hydrophilicity 1.757
Buriedness 0.744
Don/acc character 0.920
SiteScore 1.031
D Score 0.814
Kd

Compound T1C
Residue . / 3401
Chain HC / C1
Non-redundant True
Interacting RNA chains B/C1, A/C2
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/C2: rRNA, B/C1: rRNA
RNA family global rRNA
Volume 388.96 Å3
Hydrophobicity 0.251
Hydrophilicity 1.078
Buriedness 0.653
Don/acc character 2.776
SiteScore 1.120
D Score 0.980
Kd

Compound T1C
Residue . / 3402
Chain IC / C1
Non-redundant True
Interacting RNA chains B/C1
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/C1: rRNA
RNA family global rRNA
Volume 459.62 Å3
Hydrophobicity 0.180
Hydrophilicity 1.256
Buriedness 0.718
Don/acc character 2.703
SiteScore 1.163
D Score 0.961
Kd

Compound T1C
Residue . / 3403
Chain JC / C1
Non-redundant True
Interacting RNA chains B/C1
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains B/C1: rRNA
RNA family global rRNA
Volume 779.30 Å3
Hydrophobicity 0.278
Hydrophilicity 1.152
Buriedness 0.721
Don/acc character 1.798
SiteScore 1.166
D Score 0.997
Kd

Compound T1C
Residue . / 3404
Chain KC / C1
Non-redundant True
Interacting RNA chains B/C1, D/C3
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/C1: rRNA, D/C3: rRNA
RNA family global rRNA
Volume 724.42 Å3
Hydrophobicity 0.327
Hydrophilicity 1.067
Buriedness 0.664
Don/acc character 1.123
SiteScore 0.977
D Score 0.991
Kd

Compound T1C
Residue . / 3405
Chain LC / C1
Non-redundant True
Interacting RNA chains B/C1
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains B/C1: rRNA
RNA family global rRNA
Volume 692.52 Å3
Hydrophobicity 0.195
Hydrophilicity 1.118
Buriedness 0.659
Don/acc character 0.979
SiteScore 0.974
D Score 0.971
Kd

Compound T1C
Residue . / 3406
Chain MC / C1
Non-redundant True
Interacting RNA chains B/C1
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains B/C1: rRNA
RNA family global rRNA
Volume 351.23 Å3
Hydrophobicity 0.058
Hydrophilicity 1.679
Buriedness 0.656
Don/acc character 0.943
SiteScore 0.823
D Score 0.786
Kd