Chlorine in PDB 8bsd: Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Tubercidin

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

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

Resolution Low / High (Å)	37.54 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.47, 167.47, 51.51, 90, 90, 120
R / Rfree (%)	18 / 20.8

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Tubercidin 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 Tubercidin (pdb code 8bsd). 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 Tubercidin, PDB code: 8bsd:
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 Tubercidin


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 Tubercidin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7229 b:61.3 occ:1.00 H A:ASP7018 2.6 41.8 1.0 HE2 A:MET7022 3.0 45.6 1.0 HA A:ILE7017 3.1 52.6 1.0 HG23 A:ILE7017 3.2 46.8 1.0 N A:ASP7018 3.4 34.9 1.0 HB3 A:ASP7018 3.4 40.5 1.0 CE A:MET7022 3.8 38.0 1.0 O A:HOH7480 3.9 58.7 1.0 HE1 A:MET7022 3.9 45.6 1.0 O A:ASP7018 3.9 35.4 1.0 CA A:ILE7017 3.9 43.9 1.0 HB A:VAL7021 4.0 44.7 1.0 HG12 A:ILE7017 4.0 45.3 1.0 CG2 A:ILE7017 4.1 39.0 1.0 CB A:ASP7018 4.1 33.8 1.0 HB2 A:MET7022 4.1 38.2 1.0 HG12 A:VAL7021 4.2 43.7 1.0 C A:ILE7017 4.2 35.2 1.0 CA A:ASP7018 4.2 38.8 1.0 HE3 A:MET7022 4.2 45.6 1.0 HB2 A:ASP7018 4.3 40.5 1.0 O A:GLN7016 4.5 53.6 1.0 C A:ASP7018 4.5 37.4 1.0 CB A:ILE7017 4.5 39.7 1.0 NH1 A:ARG6817 4.6 71.5 1.0 HG22 A:ILE7017 4.6 46.8 1.0 HG11 A:VAL7021 4.6 43.7 1.0 HG21 A:ILE7017 4.7 46.8 1.0 HH11 A:ARG6817 4.7 85.8 1.0 CZ A:ARG6817 4.7 90.3 1.0 CG1 A:VAL7021 4.7 36.4 1.0 HD3 A:ARG6817 4.7 94.1 1.0 CG1 A:ILE7017 4.7 37.8 1.0 HH12 A:ARG6817 4.7 85.8 1.0 CB A:VAL7021 4.8 37.2 1.0 H A:MET7022 4.8 38.8 1.0 NE A:ARG6817 4.9 92.6 1.0 HD22 A:ASN7025 4.9 39.2 1.0

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


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 Tubercidin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7230 b:67.6 occ:1.00 H A:ASN6941 2.5 50.1 1.0 HB3 A:ASN6941 3.0 50.6 1.0 O A:HOH7485 3.1 61.9 1.0 HG2 A:GLU6940 3.3 88.7 1.0 N A:ASN6941 3.3 41.8 1.0 HG3 A:GLU6940 3.4 88.7 1.0 HA A:GLU6940 3.4 52.2 1.0 HD23 A:LEU6820 3.5 52.0 1.0 CB A:ASN6941 3.8 42.2 1.0 CG A:GLU6940 3.8 73.9 1.0 HB2 A:ASN6941 3.9 50.6 1.0 CA A:ASN6941 4.1 46.1 1.0 HD21 A:LEU6820 4.1 52.0 1.0 CA A:GLU6940 4.2 43.5 1.0 H22 A:EDO7205 4.2 76.2 1.0 HG A:LEU6820 4.2 50.6 1.0 CD2 A:LEU6820 4.2 43.4 1.0 C A:GLU6940 4.2 49.4 1.0 O A:ASN6941 4.4 40.9 1.0 C A:ASN6941 4.6 36.8 1.0 CB A:GLU6940 4.6 45.7 1.0 HB3 A:LEU6820 4.7 51.0 1.0 CG A:LEU6820 4.7 42.2 1.0 O A:HOH7369 4.7 57.1 1.0 O2 A:EDO7205 4.7 51.7 1.0 HO2 A:EDO7205 4.8 62.0 1.0 O A:HOH7350 4.9 34.4 1.0 H12 A:EDO7205 4.9 68.7 1.0 C2 A:EDO7205 4.9 63.5 1.0 HA A:ASN6941 4.9 55.3 1.0 HD21 A:ASN6941 4.9 39.9 1.0 CD A:GLU6940 5.0 87.6 1.0

V.Kremling, D.Oberthuer, J.Sprenger. Crystal Structures of Tubercidin Bound to the Active Site of the Sars-Cov-2 Methyltransferase NSP10-16 To Be Published.