Chlorine in PDB 7ufl: Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse ACE2

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse ACE2, PDB code: 7ufl was solved by W.Zhang, K.Shi, Q.Geng, G.Ye, H.Aihara, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.39 / 2.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.048, 118.467, 110.845, 90, 93.65, 90
R / Rfree (%)	21.4 / 27.1

The structure of Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse 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 Ba.2) Complexed with Chimeric Mouse ACE2 (pdb code 7ufl). 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 Ba.2) Complexed with Chimeric Mouse ACE2, PDB code: 7ufl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse 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 Ba.2) Complexed with Chimeric Mouse ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:51.0 occ:1.00 NH2 A:ARG169 3.2 61.9 1.0 NE A:ARG169 3.3 66.8 1.0 NE1 A:TRP477 3.5 68.8 1.0 CB A:ASP499 3.6 72.7 1.0 CZ A:ARG169 3.7 63.5 1.0 CZ2 A:TRP477 3.7 76.6 1.0 O A:ASP499 3.9 72.8 1.0 CZ2 A:TRP478 3.9 69.9 1.0 CE2 A:TRP477 4.0 70.1 1.0 CE A:LYS481 4.0 69.3 1.0 CH2 A:TRP478 4.0 69.1 1.0 C A:ASP499 4.2 72.7 1.0 NZ A:LYS481 4.3 61.1 1.0 CA A:ASP499 4.4 71.6 1.0 CD A:ARG169 4.5 68.9 1.0 CG A:ASP499 4.6 69.2 1.0 CE2 A:TRP478 4.8 70.6 1.0 CD1 A:TRP477 4.8 75.3 1.0 OD2 A:ASP499 4.9 68.0 1.0 N A:PRO500 4.9 71.2 1.0 CH2 A:TRP477 4.9 77.5 1.0 CZ2 A:TRP165 4.9 58.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse 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 Ba.2) Complexed with Chimeric Mouse ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:77.1 occ:1.00 NH2 B:ARG169 3.3 81.3 1.0 NE B:ARG169 3.4 89.5 1.0 CB B:ASP499 3.7 90.5 1.0 CZ B:ARG169 3.8 84.6 1.0 CZ2 B:TRP477 3.9 76.4 1.0 NE1 B:TRP477 3.9 80.4 1.0 O B:ASP499 4.0 86.2 1.0 CH2 B:TRP478 4.3 78.7 1.0 CE2 B:TRP477 4.3 76.1 1.0 CE B:LYS481 4.4 75.3 1.0 C B:ASP499 4.4 89.0 1.0 CD B:ARG169 4.6 91.7 1.0 CA B:ASP499 4.6 92.9 1.0 CZ2 B:TRP478 4.6 84.6 1.0 NZ B:LYS481 4.7 72.9 1.0 CG B:ASP499 4.7 92.0 1.0 CB B:TRP271 4.7 71.8 1.0 CD1 B:TRP271 4.8 79.5 1.0 O B:TRP271 4.8 59.8 1.0 OD2 B:ASP499 5.0 90.2 1.0 CA B:TRP271 5.0 70.3 1.0 CZ3 B:TRP478 5.0 75.7 1.0

W.Zhang, K.Shi, Q.Geng, G.Ye, H.Aihara, F.Li. Crystal Structure of Chimeric Omicron Rbd (Strain Ba.2) Complexed with Chimeric Mouse ACE2 To Be Published.