Fluorine in PDB 8jux: Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01, PDB code: 8jux was solved by Y.-J.Hsieh, K.-P.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 3.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.83, 99.83, 295.872, 90, 90, 120
R / Rfree (%)	21.7 / 23.3

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 (pdb code 8jux). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01, PDB code: 8jux:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:148.1 occ:1.00 F21 A:V00401 0.0 148.1 1.0 C20 A:V00401 1.4 122.5 1.0 C22 A:V00401 2.4 108.2 1.0 C19 A:V00401 2.4 98.5 1.0 CG B:PRO223 3.4 139.9 1.0 C18 A:V00401 3.6 99.4 1.0 C16 A:V00401 3.7 106.6 1.0 CB A:GLN269 4.0 116.2 1.0 C17 A:V00401 4.1 118.6 1.0 CB B:PRO223 4.2 153.9 1.0 O B:MET208 4.3 106.5 1.0 CD B:PRO223 4.5 124.9 1.0 CA A:GLN269 4.6 118.7 1.0 CG B:MET208 4.7 131.0 1.0 O A:GLN269 4.8 136.7 1.0 C15 A:V00401 4.9 97.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:140.9 occ:1.00 F21 B:V00401 0.0 140.9 1.0 C20 B:V00401 1.4 139.9 1.0 C19 B:V00401 2.4 119.5 1.0 C22 B:V00401 2.4 107.0 1.0 C18 B:V00401 3.6 112.2 1.0 C16 B:V00401 3.7 102.0 1.0 O A:MET208 3.7 119.2 1.0 CG A:PRO223 3.9 126.1 1.0 C17 B:V00401 4.1 128.3 1.0 CB B:GLN269 4.2 130.7 1.0 C A:MET208 4.5 99.9 1.0 CA A:GLY209 4.5 122.9 1.0 CG A:MET208 4.6 90.4 1.0 CB A:PRO223 4.8 114.7 1.0 N A:GLY209 4.8 122.6 1.0 CA B:GLN269 4.9 138.2 1.0 C15 B:V00401 4.9 105.0 1.0

Y.-J.Hsieh, K.-P.Wu. Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 To Be Published.