Chlorine in PDB 8otr: Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089

Enzymatic activity of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089

All present enzymatic activity of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089:
2.1.1.57;

Protein crystallography data

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089, PDB code: 8otr 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) 41.99 / 1.77
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.6, 167.6, 51.48, 90, 90, 120
R / Rfree (%) 18.8 / 21

Other elements in 8otr:

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089 (pdb code 8otr). 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 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089, PDB code: 8otr:

Chlorine binding site 1 out of 1 in 8otr

Go back to Chlorine Binding Sites List in 8otr
Chlorine binding site 1 out of 1 in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sam Analog Bdh 33959089


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 Sam Analog Bdh 33959089 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl7230

b:64.1
occ:1.00
 O A:HOH7377 3.1 53.0 1.0
N A:ASP7018 3.4 32.6 1.0
O A:ASP7018 3.9 33.6 1.0
CE A:MET7022 4.0 30.5 1.0
CA A:ILE7017 4.1 32.7 1.0
NH1 A:ARG6817 4.2 38.7 0.5
CB A:ASP7018 4.2 35.7 1.0
CG2 A:ILE7017 4.2 30.5 1.0
CA A:ASP7018 4.3 35.3 1.0
C A:ILE7017 4.3 34.9 1.0
C A:ASP7018 4.5 32.1 1.0
O A:HOH7476 4.5 62.4 1.0
CG1 A:VAL7021 4.6 28.6 1.0
CZ A:ARG6817 4.6 44.2 0.5
CB A:ILE7017 4.6 34.0 1.0
CB A:VAL7021 4.7 34.9 1.0
O A:GLN7016 4.7 44.7 1.0
N A:MET7022 4.9 28.8 1.0
CG1 A:ILE7017 4.9 35.3 1.0

Reference:

V.Kremling, D.Oberthuer, O.Yefanov, M.Galchenkova, P.Middendorf, S.Falke, Y.Fernandez Garcia, C.Ehrt, A.Kiene, B.Klopprogge, H.Chapman, J.Sprenger. Crystal Structures of Tubercidin and Adenosine Bound to the Active Site of the Sars-Cov-2 Methyltransferase NSP10-16 To Be Published.
Page generated: Tue Jul 30 11:17:43 2024

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