Chlorine in PDB 7orr: Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00022

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00022, PDB code: 7orr 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)	53.00 / 1.79
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	105.883, 105.883, 105.883, 90, 90, 90
R / Rfree (%)	17.2 / 18.4

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00022 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 VT00022 (pdb code 7orr). 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 VT00022, PDB code: 7orr:
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 VT00022


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 VT00022 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:52.8 occ:1.00 N A:GLY127 3.1 61.9 1.0 O A:HOH383 3.1 58.4 1.0 O A:HOH342 3.2 44.0 1.0 NE2 A:GLN65 3.2 40.3 1.0 CA A:GLY127 3.4 65.9 1.0 CD1 A:TRP123 3.7 43.5 1.0 CB A:TYR126 3.8 50.9 1.0 CG A:PRO100 3.8 40.0 1.0 CB A:TRP123 4.1 45.6 1.0 CD A:PRO100 4.1 40.9 1.0 C A:TYR126 4.2 58.5 1.0 CD A:GLN65 4.3 36.6 1.0 CG A:TRP123 4.3 41.3 1.0 N A:TRP123 4.4 44.5 1.0 CG A:GLN65 4.4 38.2 1.0 O A:HOH365 4.6 51.3 1.0 CA A:TYR126 4.6 54.5 1.0 C A:GLY127 4.8 66.0 1.0 O A:HOH390 4.8 61.3 1.0 O A:GLY52 4.8 39.3 1.0 CA A:TRP123 4.8 45.0 1.0 O A:TRP123 4.8 49.0 1.0 N A:PRO100 4.9 39.1 1.0 CB A:PRO100 4.9 42.1 1.0 NE1 A:TRP123 4.9 42.9 1.0 CG A:TYR126 4.9 46.5 1.0

Chlorine binding site 2 out of 2 in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00022


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 VT00022 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:39.8 occ:1.00 ND2 A:ASN40 3.1 52.7 1.0 O A:HOH327 3.3 52.6 1.0 ND2 A:ASN10 3.7 35.4 1.0 CB A:ASN10 4.0 32.6 1.0 CG A:ASN40 4.2 47.0 1.0 CG A:ASN10 4.4 35.0 1.0 CB A:ASN40 4.4 39.2 1.0 NH2 A:ARG78 4.8 31.2 1.0 O A:HOH371 4.9 34.9 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