Chlorine in PDB 7oru: Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00221

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00221, PDB code: 7oru 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)	37.78 / 1.67
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	106.775, 106.775, 106.775, 90, 90, 90
R / Rfree (%)	16.1 / 17.2

The structure of Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00221 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 VT00221 (pdb code 7oru). 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 VT00221, PDB code: 7oru:
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 VT00221


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 VT00221 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:39.8 occ:1.00 O A:HOH428 3.0 43.3 1.0 O A:HOH352 3.1 36.2 1.0 N A:GLY127 3.2 41.9 1.0 NE2 A:GLN65 3.2 29.4 1.0 CA A:GLY127 3.6 46.2 1.0 CD1 A:TRP123 3.7 31.2 1.0 CB A:TYR126 3.7 37.4 1.0 CG A:PRO100 3.8 32.0 1.0 CB A:TRP123 4.0 32.3 1.0 CD A:PRO100 4.1 31.3 1.0 C A:TYR126 4.3 43.6 1.0 CG A:TRP123 4.3 29.9 1.0 CD A:GLN65 4.3 27.2 1.0 N A:TRP123 4.4 33.7 1.0 CG A:GLN65 4.5 27.6 1.0 CA A:TYR126 4.6 40.2 1.0 O A:HOH435 4.6 50.2 1.0 O A:HOH386 4.7 40.2 1.0 N A:PRO100 4.7 29.8 1.0 O A:GLY52 4.8 29.9 1.0 CB A:PRO100 4.8 33.1 1.0 CA A:TRP123 4.8 34.3 1.0 NE1 A:TRP123 4.9 30.2 1.0 O A:TRP123 4.9 37.1 1.0 CG A:TYR126 4.9 35.2 1.0 C A:GLY127 4.9 48.1 1.0 CE A:MET122 4.9 54.0 1.0

Chlorine binding site 2 out of 2 in the Non-Structural Protein 10 (NSP10) From Sars Cov-2 in Complex with Fragment VT00221


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 VT00221 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:30.0 occ:1.00 ND2 A:ASN40 3.1 43.5 1.0 O A:HOH354 3.3 40.3 1.0 ND2 A:ASN10 3.6 25.9 1.0 CB A:ASN10 4.1 24.1 1.0 CG A:ASN40 4.2 37.3 1.0 CG A:ASN10 4.4 25.0 1.0 CB A:ASN40 4.4 28.5 1.0 O A:HOH408 4.8 26.9 1.0 NH2 A:ARG78 4.8 24.5 1.0 O A:HOH414 4.9 44.3 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