Fluorine in PDB 8gxg: The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A

All present enzymatic activity of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A:
3.4.22.69;

The structure of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A, PDB code: 8gxg was solved by Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 1.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.399, 81.646, 54.436, 90, 117.19, 90
R / Rfree (%)	16.7 / 20.6

The binding sites of Fluorine atom in the The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A (pdb code 8gxg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A, PDB code: 8gxg:

Fluorine binding site 1 out of 1 in the The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:63.5 occ:1.00 F10 A:06Q401 0.0 63.5 1.0 C09 A:06Q401 1.4 51.7 1.0 C11 A:06Q401 2.3 53.9 1.0 C08 A:06Q401 2.4 49.1 1.0 N A:ARG188 2.6 43.5 1.0 O A:ARG188 2.6 51.4 1.0 C A:ARG188 2.7 57.9 1.0 CA A:ARG188 3.0 41.6 1.0 C A:ASP187 3.2 40.8 1.0 N A:GLN189 3.4 56.6 1.0 O A:VAL186 3.4 34.7 1.0 CA A:ASP187 3.6 36.7 1.0 C12 A:06Q401 3.6 55.8 1.0 C07 A:06Q401 3.7 47.4 1.0 NE2 A:GLN192 3.8 40.4 1.0 CA A:GLN189 3.9 65.2 1.0 O A:HOH670 4.0 61.9 1.0 O A:ASP187 4.0 38.1 1.0 SD A:MET165 4.0 43.3 1.0 C06 A:06Q401 4.1 45.5 1.0 CE A:MET49 4.1 43.5 1.0 C A:VAL186 4.3 38.5 1.0 O A:HOH704 4.4 57.5 1.0 N A:ASP187 4.4 32.2 1.0 CB A:ARG188 4.5 54.8 1.0 CB A:ASP187 4.6 35.1 1.0 OE1 A:GLN189 4.8 81.2 1.0 CB A:GLN189 4.9 69.2 1.0 C A:GLN189 4.9 60.4 1.0 CE A:MET165 5.0 36.6 1.0

Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao. The Crystal Structure of Sars-Cov-2 Main Protease in Complex with 14A To Be Published.