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Chlorine in PDB 9gny: Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine

Enzymatic activity of Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine

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

Protein crystallography data

The structure of Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine, PDB code: 9gny was solved by V.Kremling, J.Sprenger, D.Oberthuer, A.Kiene, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.47 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.04, 167.04, 51.44, 90, 90, 120
R / Rfree (%) 19 / 21.2

Other elements in 9gny:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine (pdb code 9gny). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine, PDB code: 9gny:

Chlorine binding site 1 out of 1 in 9gny

Go back to Chlorine Binding Sites List in 9gny
Chlorine binding site 1 out of 1 in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Caffeine


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 Methyltransferase NSP10-16 in Complex with Sam and Caffeine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7218

b:78.1
occ:1.00
 HD11 A:LEU6961 3.5 49.2 1.0
HD13 A:ILE7065 3.6 78.1 1.0
HG2 A:GLU7062 3.6 110.2 1.0
O A:HOH7343 3.7 42.2 1.0
O A:HOH7460 3.7 65.3 1.0
HG22 A:ILE7080 3.8 49.1 1.0
O A:LEU7060 3.8 64.6 1.0
HD11 A:ILE7065 3.8 78.1 1.0
HG A:LEU6961 4.0 40.5 1.0
HG21 A:ILE7080 4.0 49.1 1.0
CD1 A:ILE7065 4.1 65.1 1.0
HZ1 A:LYS6921 4.2 70.0 1.0
HD12 A:LEU6961 4.2 49.2 1.0
O A:HOH7501 4.2 59.5 1.0
O A:HOH7481 4.2 68.7 1.0
CD1 A:LEU6961 4.2 41.0 1.0
HD12 A:ILE7065 4.2 78.1 1.0
HA A:GLU7062 4.2 95.0 1.0
HZ2 A:LYS6921 4.3 70.0 1.0
CG2 A:ILE7080 4.4 40.9 1.0
CG A:GLU7062 4.6 91.8 1.0
CG A:LEU6961 4.6 33.7 1.0
NZ A:LYS6921 4.7 58.4 1.0
HA A:LYS7061 4.7 84.3 1.0
N A:GLU7062 4.7 70.2 1.0
H A:GLU7062 4.7 84.2 1.0
O A:HOH7509 4.8 49.1 1.0
OE2 A:GLU7062 4.9 100.7 1.0
C A:LEU7060 4.9 61.8 1.0
CA A:GLU7062 4.9 79.2 1.0
HD21 A:LEU6961 5.0 50.2 1.0
C A:LYS7061 5.0 66.0 1.0
HG23 A:ILE7080 5.0 49.1 1.0

Reference:

V.Kremling, J.Sprenger, D.Oberthuer, H.N.Chapman, P.Middendorf, S.Falke, A.Kiene, B.Klopprogge, T.E.S.Scheer, A.Creon. Crystal Structures of Sars-Cov-2 Methyltransferase NSP10-16 with CAP0-Site Binders To Be Published.
Page generated: Thu Oct 31 18:17:30 2024

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