Chlorine in PDB 8vqr: Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2

The structure of Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2, PDB code: 8vqr was solved by F.-C.Hsueh, K.Shi, H.Aihara, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.41 / 2.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.961, 118.107, 112.233, 90, 92.89, 90
R / Rfree (%)	21.4 / 26.4

The structure of Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2 (pdb code 8vqr). 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 Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2, PDB code: 8vqr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2


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 Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:64.0 occ:1.00 NH2 A:ARG169 3.0 65.1 1.0 NE A:ARG169 3.3 56.9 1.0 CZ A:ARG169 3.6 53.1 1.0 NE1 A:TRP477 3.6 59.4 1.0 CB A:ASP499 3.6 68.5 1.0 CZ2 A:TRP477 3.9 62.6 1.0 CZ2 A:TRP478 4.0 49.9 1.0 CE2 A:TRP477 4.1 56.6 1.0 CH2 A:TRP478 4.1 50.0 1.0 CE A:LYS481 4.3 36.1 1.0 O A:ASP499 4.3 67.3 1.0 C A:ASP499 4.5 51.5 1.0 CG A:ASP499 4.5 57.6 1.0 CD A:ARG169 4.5 60.8 1.0 CA A:ASP499 4.6 61.6 1.0 OD2 A:ASP499 4.6 59.0 1.0 CZ2 A:TRP165 4.6 56.3 1.0 NZ A:LYS481 4.8 41.5 1.0 CD1 A:TRP477 4.8 53.8 1.0 OG A:SER502 4.8 77.2 1.0 NH1 A:ARG169 4.9 55.5 1.0 CE2 A:TRP478 4.9 58.8 1.0 CD1 A:TRP271 4.9 63.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2


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 Chimeric Sars-Cov-2 Rbd Complexed with Chimeric Raccoon Dog ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:75.7 occ:1.00 NH2 B:ARG169 2.9 70.2 1.0 NE B:ARG169 3.1 67.9 1.0 CB B:ASP499 3.4 57.9 1.0 CZ B:ARG169 3.4 69.2 1.0 NE1 B:TRP477 3.8 49.9 1.0 CZ2 B:TRP478 3.8 81.8 1.0 CH2 B:TRP478 3.9 66.6 1.0 O B:ASP499 4.1 83.4 1.0 C B:ASP499 4.3 77.6 1.0 CZ2 B:TRP477 4.3 73.3 1.0 CE B:LYS481 4.3 62.3 1.0 CD B:ARG169 4.3 60.7 1.0 CG B:ASP499 4.4 56.6 1.0 CA B:ASP499 4.4 67.1 1.0 CE2 B:TRP477 4.4 61.6 1.0 OD2 B:ASP499 4.6 64.5 1.0 CZ2 B:TRP165 4.6 61.8 1.0 OG B:SER502 4.6 76.7 1.0 NZ B:LYS481 4.7 63.1 1.0 NH1 B:ARG169 4.8 69.4 1.0 CE2 B:TRP478 4.8 78.6 1.0 N B:PRO500 4.9 68.3 1.0 CZ3 B:TRP478 4.9 61.6 1.0 CD1 B:TRP271 5.0 74.4 1.0 CD1 B:TRP477 5.0 65.0 1.0

W.Zhang, K.Shi, Q.Geng, H.Aihara, F.Li. Structural Evolution of Sars-Cov-2 Omicron in Human Receptor Recognition To Be Published.