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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8gs2

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 2.84
System mass 316.39 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Desulfonema
RCSB PDB Entry 8gs2
Reference Kato Kazuki, Okazaki Sae, Schmitt-Ulms Cian, Jiang Kaiyi, Zhou Wenyuan, Ishikawa Junichiro, Isayama Yukari, Adachi Shungo, Nishizawa Tomohiro, Makarova Kira S., Koonin Eugene V., Abudayyeh Omar O., Gootenberg Jonathan S., Nishimasu Hiroshi. 2022. RNA-triggered protein cleavage and cell growth arrest by the type III-E CRISPR nuclease-protease Science
Equivalence Class NR_all_56375.1
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 C5P
Residue . / 101
Chain E / D
Non-redundant True
Interacting RNA chains B/D
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains B/D: unknown
RNA family global unknown
Volume 707.95 Å3
Hydrophobicity 0.242
Hydrophilicity 1.334
Buriedness 0.821
Don/acc character 0.555
SiteScore 1.082
D Score 0.998
Kd