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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7q0r

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 2.67
System mass 3145.02 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Candida
RCSB PDB Entry 7q0r
Reference Zgadzay Yury, Kolosova Olga, Stetsenko Artem, Wu Cheng, Bruchlen David, Usachev Konstantin, Validov Shamil, Jenner Lasse, Rogachev Andrey, Yusupova Gulnara, Sachs Matthew S., Guskov Albert, Yusupov Marat. 2022. E-site drug specificity of the human pathogen Candida albicans ribosome Science Advances
Equivalence Class NR_all_22526.9, NR_all_58155.3
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 BLS
Residue . / 3403
Chain EC / 1
Non-redundant True
Interacting RNA chains A/1
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/1: rRNA
RNA family global rRNA
Volume 482.26 Å3
Hydrophobicity 0.180
Hydrophilicity 1.080
Buriedness 0.660
Don/acc character 1.905
SiteScore 1.117
D Score 0.975
Kd