Chlorine in PDB 5rti: Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237

All present enzymatic activity of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237:
3.4.19.12;

The structure of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237, PDB code: 5rti was solved by G.J.Correy, I.D.Young, M.C.Thompson, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.37 / 1.01
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.732, 88.732, 39.230, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.5

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237 (pdb code 5rti). 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 Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237, PDB code: 5rti:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000004219237 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.3 occ:0.66 CL A:6U6201 0.0 19.3 0.7 C6 A:6U6201 1.8 18.1 0.7 C7 A:6U6201 2.6 18.4 0.7 H8 A:6U6201 2.7 22.0 0.7 C5 A:6U6201 2.8 17.2 0.7 HA2 A:GLY48 2.9 21.8 1.0 H5 A:6U6201 2.9 20.6 0.7 HB2 A:ALA52 3.2 18.2 1.0 O A:GLY48 3.5 17.5 1.0 C A:GLY48 3.5 17.1 1.0 CA A:GLY48 3.6 18.1 1.0 O A:HOH449 3.8 21.6 1.0 C8 A:6U6201 3.9 17.5 0.7 C4 A:6U6201 4.0 17.0 0.7 HB3 A:ALA52 4.0 18.2 1.0 CB A:ALA52 4.0 15.2 1.0 N A:VAL49 4.1 16.4 1.0 H A:GLY48 4.1 20.5 1.0 N A:GLY48 4.3 17.1 1.0 HB1 A:ALA52 4.3 18.2 1.0 HA A:VAL49 4.3 18.5 1.0 HA3 A:GLY48 4.4 21.8 1.0 C9 A:6U6201 4.4 16.8 0.7 H A:VAL49 4.4 19.7 1.0 H6 A:6U6201 4.6 21.0 0.7 H A:ALA52 4.7 17.0 1.0 CA A:VAL49 4.8 15.4 1.0

C.J.Correy, J.S.Fraser. Fragment Screen Against Sars-Cov-2 Nsp Macrodomain To Be Published.