Chlorine in PDB 8sph: Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2

All present enzymatic activity of Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2:
3.4.17.23;

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2, PDB code: 8sph was solved by W.Zhang, 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)	111.52 / 2.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.74, 116.369, 111.658, 90, 92.81, 90
R / Rfree (%)	21.9 / 28.3

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2 (pdb code 8sph). 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 Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2, PDB code: 8sph:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human 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 Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:99.8 occ:1.00 O A:HOH804 2.8 52.1 1.0 NH2 A:ARG169 3.1 58.6 1.0 NE1 A:TRP477 3.4 45.5 1.0 NE A:ARG169 3.5 60.6 1.0 CB A:ASP499 3.7 51.8 1.0 CZ A:ARG169 3.7 52.2 1.0 CZ2 A:TRP477 3.8 49.8 1.0 CE2 A:TRP477 3.9 43.3 1.0 CZ2 A:TRP478 4.0 52.0 1.0 NZ A:LYS481 4.1 51.1 1.0 O A:ASP499 4.2 61.2 1.0 CH2 A:TRP478 4.3 52.9 1.0 C A:ASP499 4.4 57.6 1.0 CE A:LYS481 4.5 40.8 1.0 CD1 A:TRP477 4.6 52.1 1.0 CG A:ASP499 4.6 41.4 1.0 CA A:ASP499 4.6 52.3 1.0 CD A:ARG169 4.7 43.5 1.0 OD2 A:ASP499 4.7 43.0 1.0 CE2 A:TRP478 4.8 50.4 1.0 CZ2 A:TRP165 4.8 45.0 1.0 N A:PRO500 5.0 52.9 1.0 NH1 A:ARG169 5.0 44.6 1.0 CD A:LYS481 5.0 36.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Xbb.1) Complexed with Human 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 Omicron Rbd (Strain Xbb.1) Complexed with Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:60.3 occ:1.00 NH2 B:ARG169 2.6 59.5 1.0 NE B:ARG169 3.3 68.2 1.0 CZ B:ARG169 3.4 60.9 1.0 O B:ASP499 3.4 89.0 1.0 CB B:ASP499 3.4 83.0 1.0 NE1 B:TRP477 3.7 56.8 1.0 C B:ASP499 3.7 79.8 1.0 CZ2 B:TRP477 3.9 61.7 1.0 CA B:ASP499 4.1 87.2 1.0 OG B:SER502 4.1 75.1 1.0 CE2 B:TRP477 4.1 58.8 1.0 CE B:LYS481 4.3 52.8 1.0 CZ2 B:TRP478 4.4 65.3 1.0 N B:PRO500 4.4 73.8 1.0 CH2 B:TRP478 4.5 62.0 1.0 CG B:ASP499 4.5 82.3 1.0 NH1 B:ARG169 4.6 62.0 1.0 CD B:ARG169 4.7 73.5 1.0 NZ B:LYS481 4.7 50.7 1.0 CB B:TRP271 4.8 58.8 1.0 CD1 B:TRP477 4.9 57.0 1.0 OD2 B:ASP499 4.9 83.1 1.0 CD1 B:TRP271 5.0 61.6 1.0 CD B:PRO500 5.0 70.9 1.0 CA B:PRO500 5.0 70.0 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.