Fluorine in PDB 7sdc: Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09

The structure of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09, PDB code: 7sdc was solved by K.S.Yang, W.R.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.35 / 1.85
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.365, 80.987, 87.812, 90, 97.29, 90
R / Rfree (%)	27.6 / 30

The binding sites of Fluorine atom in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09 (pdb code 7sdc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09, PDB code: 7sdc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:59.9 occ:1.00 F27 A:I80401 0.0 59.9 1.0 C26 A:I80401 1.3 55.8 1.0 F29 A:I80401 1.9 60.2 1.0 F28 A:I80401 2.3 58.2 1.0 O10 A:I80401 2.4 54.8 1.0 C6 A:I80401 3.5 51.1 1.0 C7 A:I80401 3.7 50.5 1.0 C5 A:I80401 4.7 45.7 1.0 CG A:PRO168 4.8 37.8 1.0 CA A:ALA191 5.0 49.8 1.0 O A:THR190 5.0 49.8 1.0

Fluorine binding site 2 out of 3 in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:58.2 occ:1.00 F28 A:I80401 0.0 58.2 1.0 C26 A:I80401 1.3 55.8 1.0 F29 A:I80401 1.9 60.2 1.0 F27 A:I80401 2.3 59.9 1.0 O10 A:I80401 2.4 54.8 1.0 C6 A:I80401 2.8 51.1 1.0 C7 A:I80401 2.9 50.5 1.0 CD A:GLN189 3.6 52.4 1.0 C A:THR190 3.7 50.1 1.0 O A:THR190 3.7 49.8 1.0 OE1 A:GLN189 3.7 53.8 1.0 CG A:GLN189 3.8 52.6 1.0 N A:THR190 3.9 51.0 1.0 C5 A:I80401 3.9 45.7 1.0 CA A:THR190 3.9 50.6 1.0 C A:GLN189 3.9 51.9 1.0 C9 A:I80401 4.0 47.8 1.0 O A:GLN189 4.1 53.4 1.0 N A:ALA191 4.2 51.8 1.0 NE2 A:GLN189 4.2 53.2 1.0 CA A:GLN189 4.5 51.5 1.0 CA A:ALA191 4.7 49.8 1.0 CB A:GLN189 4.7 53.4 1.0 C4 A:I80401 4.8 48.0 1.0 C3 A:I80401 4.8 44.4 1.0

Fluorine binding site 3 out of 3 in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor Mi-09 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:60.2 occ:1.00 F29 A:I80401 0.0 60.2 1.0 C26 A:I80401 1.3 55.8 1.0 F28 A:I80401 1.9 58.2 1.0 F27 A:I80401 1.9 59.9 1.0 O10 A:I80401 2.0 54.8 1.0 N A:ALA191 3.1 51.8 1.0 C A:THR190 3.1 50.1 1.0 C6 A:I80401 3.2 51.1 1.0 CA A:ALA191 3.2 49.8 1.0 O A:THR190 3.2 49.8 1.0 C7 A:I80401 3.9 50.5 1.0 CA A:THR190 4.0 50.6 1.0 C5 A:I80401 4.0 45.7 1.0 CB A:ALA191 4.0 48.8 1.0 C A:ALA191 4.3 46.9 1.0 N A:GLN192 4.4 47.9 1.0 N A:THR190 4.5 51.0 1.0

K.S.Yang, W.R.Liu. Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitors To Be Published.