Zinc in PDB 8bwu: Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor

The structure of Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor, PDB code: 8bwu was solved by E.Konkolova, M.Klima, E.Boura, J.Jin, H.U.Kaniskan, Y.Han, M.Vedadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.33 / 2.36
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	109.309, 109.309, 48.651, 90, 90, 120
R / Rfree (%)	23 / 26.4

The binding sites of Zinc atom in the Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor (pdb code 8bwu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor, PDB code: 8bwu:

Zinc binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:46.2 occ:1.00 ND1 A:HIS487 2.1 49.6 1.0 SG A:CYS477 2.3 43.1 1.0 SG A:CYS452 2.3 40.5 1.0 SG A:CYS484 2.3 45.2 1.0 CE1 A:HIS487 2.9 50.6 1.0 CB A:CYS477 3.0 56.0 1.0 CB A:CYS452 3.0 41.9 1.0 CG A:HIS487 3.2 41.2 1.0 CB A:CYS484 3.6 52.2 1.0 CB A:HIS487 3.6 38.4 1.0 CA A:CYS452 3.7 54.8 1.0 N A:CYS484 4.0 45.8 1.0 NE2 A:HIS487 4.0 43.4 1.0 N A:CYS477 4.1 47.9 1.0 CA A:CYS477 4.2 41.7 1.0 CD2 A:HIS487 4.2 48.5 1.0 CA A:CYS484 4.4 38.4 1.0 N A:CYS452 4.5 46.1 1.0 CB A:THR475 4.7 55.1 1.0 N A:HIS487 4.7 53.3 1.0 OG1 A:THR475 4.7 50.2 1.0 CA A:HIS487 4.8 42.3 1.0 C A:CYS452 4.8 47.4 1.0 O A:HOH703 4.9 50.7 1.0 N A:GLU453 4.9 40.1 1.0

E.Konkolova, M.Klima, E.Boura, J.Jin, H.U.Kaniskan, Y.Han, M.Vedadi. Crystal Structure of Sars-Cov-2 NSP14 Methyltransferase Domain in Complex with the SS148 Inhibitor To Be Published.