Chlorine in PDB 7orw: Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265, PDB code: 7orw was solved by V.O.Talibov, F.Kozielski, C.Sele, J.Lou, D.Dong, Q.Wang, X.Shi, M.Nyblom, A.Rogstam, T.Krojer, W.Knecht, S.Z.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.94 / 1.95
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	107.771, 107.771, 107.771, 90, 90, 90
R / Rfree (%)	17.5 / 20.9

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265 (pdb code 7orw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265, PDB code: 7orw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:51.3 occ:1.00 OD1 A:ASN40 3.1 66.2 1.0 O A:HOH342 3.4 58.7 1.0 ND2 A:ASN10 3.6 47.7 1.0 CG A:ASN40 4.1 58.1 1.0 CB A:ASN10 4.2 44.9 1.0 CG A:ASN10 4.4 46.5 1.0 CB A:ASN40 4.5 51.5 1.0 NH2 A:ARG78 4.8 38.6 1.0 O A:HOH370 4.9 61.1 1.0

Chlorine binding site 2 out of 2 in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00265 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:56.8 occ:1.00 O A:HOH376 2.9 55.9 1.0 O A:HOH348 3.0 46.0 1.0 N A:GLY127 3.1 60.5 1.0 NE2 A:GLN65 3.3 46.7 1.0 CA A:GLY127 3.5 67.2 1.0 CB A:TYR126 3.7 52.7 1.0 CG A:PRO100 3.8 50.3 1.0 CD1 A:TRP123 3.9 45.3 1.0 CB A:TRP123 4.0 49.7 1.0 C A:TYR126 4.2 61.7 1.0 CD A:PRO100 4.2 48.6 1.0 CG A:TRP123 4.4 46.4 1.0 CD A:GLN65 4.4 45.6 1.0 O A:HOH356 4.4 58.6 1.0 N A:TRP123 4.5 51.6 1.0 CG A:GLN65 4.5 44.7 1.0 CA A:TYR126 4.5 60.0 1.0 O A:HOH386 4.7 66.3 1.0 CB A:PRO100 4.8 48.5 1.0 O A:GLY52 4.8 45.0 1.0 N A:PRO100 4.8 47.5 1.0 CA A:TRP123 4.8 51.4 1.0 CG A:TYR126 4.8 52.0 1.0 O A:TRP123 4.9 52.0 1.0 C A:GLY127 4.9 65.0 1.0

F.Kozielski, C.Sele, V.O.Talibov, J.Lou, D.Dong, Q.Wang, X.Shi, M.Nyblom, A.Rogstam, T.Krojer, Z.Fisher, W.Knecht. Identification of Fragments Binding to Sars-Cov-2 NSP10 Reveals Ligand-Binding Sites in Conserved Interfaces Between NSP10 and NSP14/NSP16 Rsc Chem Biol 2021.
ISSN: ESSN 2633-0679
DOI: 10.1039/D1CB00135C