Fluorine in PDB 6tgl: 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A.

All present enzymatic activity of 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A.:
2.7.7.48; 3.4.22.66; 3.6.1.15;

The structure of 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A., PDB code: 6tgl was solved by J.Guo, J.B.Cooper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.11 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.880, 89.200, 61.180, 90.00, 97.08, 90.00
R / Rfree (%)	17 / 23.7

The binding sites of Fluorine atom in the 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A. (pdb code 6tgl). 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 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A., PDB code: 6tgl:

Fluorine binding site 1 out of 1 in the 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 3C-Like Protease From Southampton Virus Complexed with FMOPL000644A. within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:49.0 occ:1.00 F B:LVP201 0.0 49.0 1.0 C3 B:LVP201 1.4 45.0 1.0 C4 B:LVP201 2.4 45.8 1.0 C2 B:LVP201 2.4 41.9 1.0 N B:LVP201 2.7 49.4 1.0 NH1 B:ARG100 3.0 36.1 1.0 CZ B:ARG100 3.5 34.4 1.0 C1 B:LVP201 3.6 39.3 1.0 C5 B:LVP201 3.6 40.0 1.0 NH2 B:ARG100 3.7 35.9 1.0 N1 B:LVP201 3.9 52.4 1.0 O B:LVP201 4.0 53.5 1.0 C B:LVP201 4.1 38.2 1.0 NE B:ARG100 4.4 33.2 1.0 C6 B:LVP201 4.4 52.6 1.0 CD B:ARG100 4.9 30.4 1.0

J.Guo, A.Douangamath, W.Song, A.R.Coker, A.W.E.Chan, S.P.Wood, J.B.Cooper, E.Resnick, N.London, F.V.Delft. In Crystallo-Screening For Discovery of Human Norovirus 3C-Like Protease Inhibitors. J Struct Biol X V. 4 00031 2020.
ISSN: ESSN 2590-1524
PubMed: 32743543
DOI: 10.1016/J.YJSBX.2020.100031