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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8vtw

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 2.35
System mass 4426.39 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 8vtw
Reference Aleksandrova Elena V., Ma Cong-Xuan, Klepacki Dorota, Alizadeh Faezeh, Vázquez-Laslop Nora, Liang Jian-Hua, Polikanov Yury S., Mankin Alexander S.. 2024. Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms Nature Chemical Biology
Equivalence Class NR_all_42622.80, NR_all_97519.80
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 . / 3998
Chain LPA / 1A
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 ARG
Residue . / 232
Chain SQA / 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 173.22 Å3
Hydrophobicity 0.053
Hydrophilicity 1.825
Buriedness 0.614
Don/acc character 1.035
SiteScore 0.938
D Score 0.514
Kd