Chlorine in PDB 8osx: Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp

All present enzymatic activity of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp:
2.1.1.57;

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp, PDB code: 8osx was solved by V.Kremling, J.Sprenger, D.Oberthuer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.14 / 1.83
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.02, 168.02, 51.7, 90, 90, 120
R / Rfree (%)	19.7 / 22.3

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp (pdb code 8osx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp, PDB code: 8osx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7232 b:68.3 occ:1.00 O A:HOH7434 2.9 50.0 1.0 N A:ASP7018 3.6 32.3 1.0 O A:ASP7018 3.9 38.4 1.0 CE A:MET7022 3.9 30.1 1.0 O A:HOH7442 4.1 55.2 1.0 CB A:ASP7018 4.2 35.9 1.0 NH1 A:ARG6817 4.2 35.2 0.5 CA A:ILE7017 4.3 32.6 1.0 CG1 A:VAL7021 4.3 35.0 1.0 CA A:ASP7018 4.3 35.9 1.0 CG2 A:ILE7017 4.4 31.2 1.0 CB A:VAL7021 4.4 37.4 1.0 CZ A:ARG6817 4.4 46.5 0.5 C A:ILE7017 4.4 30.2 1.0 C A:ASP7018 4.5 35.9 1.0 N A:MET7022 4.7 29.8 1.0 NE A:ARG6817 4.8 44.8 0.5 CB A:ILE7017 4.8 32.7 1.0 O A:GLN7016 4.8 47.3 1.0 NH2 A:ARG6817 4.9 45.3 0.5 CB A:MET7022 4.9 26.3 1.0 O A:LYS6814 4.9 38.7 1.0 CD A:ARG6817 5.0 41.3 0.5 SD A:MET7022 5.0 31.8 1.0

Chlorine binding site 2 out of 2 in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4405 b:74.5 occ:1.00 O B:ARG4331 4.1 36.4 1.0 O B:HOH4552 4.3 58.0 1.0 O B:HOH4522 4.4 55.9 1.0 CG1 B:ILE4291 4.4 43.8 1.0 O B:HOH4554 4.5 44.8 1.0 O B:HOH4518 4.5 42.2 1.0 CG2 B:ILE4291 4.6 40.4 1.0 CD1 B:ILE4291 4.6 37.9 1.0 SG B:CYS4332 4.6 49.5 1.0 C B:ARG4331 4.7 43.2 1.0 CB B:ARG4331 4.7 36.9 1.0 NH2 B:ARG4331 4.8 31.4 1.0

V.Kremling, J.Sprenger, D.Oberthuer, O.Yefanov, M.Galchenkova, P.Middendorf, S.Falke, Y.Garcia, C.Ehrt, A.Kiene, B.Klopprogge, H.Chapman. Crystal Structures of Tubercidin and Adenosine Bound to the Active Site of the Sars-Cov-2 Methyltransferase NSP10-16 To Be Published.