Zinc in PDB 5sla: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278, PDB code: 5sla was solved by N.Imprachim, Y.Yosaatmadja, F.Von-Delft, C.Bountra, O.Gileadi, J.A.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.31 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.695, 68.077, 138.627, 90, 90, 90
R / Rfree (%)	25.1 / 27.1

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278 (pdb code 5sla). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278, PDB code: 5sla:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn601 b:36.6 occ:1.00 ND1 D:HIS264 2.1 43.7 1.0 SG D:CYS279 2.2 34.1 1.0 NE2 D:HIS257 2.2 38.3 1.0 SG D:CYS261 2.4 38.6 1.0 CE1 D:HIS264 3.0 43.5 1.0 CD2 D:HIS257 3.0 36.9 1.0 CB D:CYS279 3.1 30.8 1.0 CB D:CYS261 3.2 42.3 1.0 CG D:HIS264 3.2 43.0 1.0 CE1 D:HIS257 3.3 38.2 1.0 CB D:HIS264 3.6 44.9 1.0 NE2 D:HIS264 4.2 43.3 1.0 CG D:HIS257 4.2 37.0 1.0 CD2 D:HIS264 4.3 42.6 1.0 N D:HIS264 4.3 46.7 1.0 ND1 D:HIS257 4.4 37.9 1.0 CA D:CYS279 4.6 30.8 1.0 N D:ASP415 4.6 34.9 1.0 CA D:HIS264 4.6 47.1 1.0 CA D:CYS261 4.6 43.0 1.0 O D:HOH843 4.8 35.0 1.0 SG D:CYS414 4.9 41.9 0.6 CA D:CYS414 4.9 34.5 0.4 CA D:CYS414 5.0 35.4 0.6

Zinc binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn602 b:41.4 occ:1.00 ND1 D:HIS487 2.2 41.5 1.0 SG D:CYS484 2.2 41.7 1.0 SG D:CYS452 2.4 52.3 1.0 SG D:CYS477 2.4 40.4 1.0 CG D:HIS487 3.2 40.0 1.0 CB D:CYS477 3.2 40.0 1.0 CE1 D:HIS487 3.2 41.6 1.0 CB D:CYS484 3.3 41.5 1.0 CB D:CYS452 3.3 53.2 1.0 CB D:HIS487 3.4 39.4 1.0 CA D:CYS452 3.7 54.2 1.0 N D:CYS484 4.0 41.5 1.0 CA D:CYS484 4.2 41.5 1.0 CD2 D:HIS487 4.3 40.4 1.0 N D:CYS477 4.3 40.4 1.0 NE2 D:HIS487 4.4 41.1 1.0 CA D:CYS477 4.4 39.7 1.0 N D:HIS487 4.4 40.3 1.0 CA D:HIS487 4.5 39.8 1.0 N D:CYS452 4.6 52.3 1.0 OG1 D:THR475 4.6 35.5 1.0 CB D:THR475 4.7 34.8 1.0 O D:CYS484 4.9 41.1 1.0 C D:CYS484 4.9 42.2 1.0 C D:CYS452 5.0 57.6 1.0

Zinc binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1003207278 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn603 b:49.0 occ:1.00 ND1 D:HIS229 2.0 48.6 1.0 SG D:CYS210 2.3 53.9 1.0 SG D:CYS207 2.3 54.7 1.0 SG D:CYS226 2.5 44.9 1.0 CE1 D:HIS229 2.8 48.9 1.0 CB D:CYS207 3.0 53.7 1.0 CG D:HIS229 3.2 46.9 1.0 CB D:CYS210 3.4 52.9 1.0 CB D:CYS226 3.5 40.7 1.0 CB D:HIS229 3.7 44.5 1.0 N D:CYS210 3.7 53.4 1.0 N D:CYS226 4.0 40.5 1.0 NE2 D:HIS229 4.0 49.4 1.0 CA D:CYS210 4.0 52.8 1.0 CD2 D:HIS229 4.2 48.3 1.0 NH1 D:ARG212 4.3 48.8 1.0 CA D:CYS226 4.3 39.4 1.0 C D:LEU209 4.4 54.8 1.0 N D:HIS229 4.4 42.8 1.0 CA D:CYS207 4.5 54.1 1.0 C D:CYS210 4.6 52.8 1.0 CA D:HIS229 4.7 43.6 1.0 CB D:LEU209 4.7 56.1 1.0 CB D:ARG212 4.8 47.2 1.0 N D:LEU209 4.8 55.9 1.0 CD D:ARG212 4.8 48.8 1.0 CA D:LEU209 4.8 55.6 1.0 O D:CYS210 4.9 53.5 1.0 CB D:HIS228 4.9 41.1 1.0

N.Imprachim, Y.Yosaatmadja, F.Von-Delft, C.Bountra, O.Gileadi, J.A.Newman. Pandda Analysis Group Deposition To Be Published.