Chlorine in PDB 7m8t: Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378)

The structure of Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378), PDB code: 7m8t was solved by S.Gras, A.T.Nguyen, C.Szeto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.41 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.873, 38.451, 110.059, 90, 94.63, 90
R / Rfree (%)	18.8 / 21.9

The structure of Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378) also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378) (pdb code 7m8t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378), PDB code: 7m8t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378)


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 Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:40.0 occ:1.00 N A:THR233 3.0 15.6 1.0 NZ A:LYS243 3.3 18.6 1.0 O A:HOH648 3.4 29.5 1.0 O A:HOH586 3.5 24.9 1.0 OG1 A:THR233 3.6 16.2 1.0 CA A:GLU232 3.6 16.7 1.0 C A:GLU232 3.8 16.3 1.0 CB A:THR233 3.8 15.4 1.0 CA A:THR233 4.0 15.3 1.0 O A:HOH683 4.0 28.9 1.0 CB A:GLU232 4.0 20.8 1.0 NZ A:LYS243 4.4 33.6 0.0 CG A:GLU232 4.4 26.2 1.0 O A:HOH794 4.5 37.3 1.0 O A:HOH562 4.5 20.3 1.0 CE A:LYS243 4.7 18.7 1.0 O A:THR233 4.7 15.9 1.0 CE A:LYS243 4.8 26.3 0.0 O A:VAL231 4.8 16.7 1.0 N A:GLU232 4.9 15.8 1.0 C A:THR233 4.9 15.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hla-A*11:01 in Complex with Nsasfstfk, An 9-Mer Epitope From Sars-Cov-2 Spike (S370-378) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:57.7 occ:1.00 NH2 B:ARG45 3.2 49.5 1.0 NH1 B:ARG45 3.6 47.6 1.0 N B:LYS48 3.6 29.2 1.0 O B:HOH256 3.7 32.1 1.0 CZ B:ARG45 3.9 48.3 1.0 CA B:GLU47 4.2 27.9 1.0 CB B:GLU47 4.3 32.0 1.0 CA B:LYS48 4.4 30.2 1.0 C B:GLU47 4.4 28.7 1.0 CG B:GLU47 4.8 39.4 1.0 CD B:LYS48 4.9 45.5 1.0

A.T.Nguyen, C.Szeto, D.Jayasinghe, C.A.Lobos, H.Halim, D.S.M.Chatzileontiadou, E.J.Grant, S.Gras. Sars-Cov-2 Spike-Derived Peptides Presented By Hla Molecules Biophysica V. 1 2021.
DOI: 10.3390/BIOPHYSICA1020015