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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8y36

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 2.65
System mass 1334.26 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 8y36
Reference Ma Cong-Xuan, Li Ye, Liu Wen-Tian, Li Yun, Zhao Fei, Lian Xiao-Tian, Ding Jing, Liu Si-Meng, Liu Xie-Peng, Fan Bing-Zhi, Liu Li-Yong, Xue Feng, Li Jian, Zhang Jue-Ru, Xue Zhao, Pei Xiao-Tong, Lin Jin-Zhong, Liang Jian-Hua. 2024. Synthetic macrolides overcoming MLSBK-resistant pathogens Cell Discovery
Equivalence Class NR_all_90633.30
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 A1D6G
Residue . / 3001
Chain EA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 580.70 Å3
Hydrophobicity 0.240
Hydrophilicity 1.210
Buriedness 0.753
Don/acc character 1.247
SiteScore 1.187
D Score 0.997
Kd