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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7jz0

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 2.15
System mass 103.54 kDa
Deposition year 2020
Molecule type RNA/Protein
# RNA entities 1
Organism Betacoronavirus
RCSB PDB Entry 7jz0
Reference Minasov George, Rosas-Lemus Monica, Shuvalova Ludmilla, Inniss Nicole L., Brunzelle Joseph S., Daczkowski Courtney M., Hoover Paul, Mesecar Andrew D., Satchell Karla J. F.. 2021. Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2′- O -methyl transfer by SARS-CoV-2 nsp16 preprint (bioRxiv)
Equivalence Class NR_all_11762.6
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 SAH
Residue . / 7101
Chain G / A
Non-redundant False
Interacting RNA chains E/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains E/E: unknown
RNA family global unknown
Volume 242.16 Å3
Hydrophobicity 0.612
Hydrophilicity 1.088
Buriedness 0.699
Don/acc character 1.348
SiteScore 1.000
D Score 1.004
Kd

Compound SAH
Residue . / 7101
Chain T / C
Non-redundant False
Interacting RNA chains F/F
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/F: unknown
RNA family global unknown
Volume 234.61 Å3
Hydrophobicity 0.689
Hydrophilicity 1.084
Buriedness 0.698
Don/acc character 1.242
SiteScore 1.000
D Score 1.005
Kd