Chlorine in PDB 6vw1: Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2

All present enzymatic activity of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2:
3.4.17.23;

The structure of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2, PDB code: 6vw1 was solved by J.Shang, G.Ye, K.Shi, Y.S.Wan, H.Aihara, F.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.02 / 2.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.435, 118.034, 112.075, 90.00, 93.12, 90.00
R / Rfree (%)	19.7 / 22.9

The structure of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 (pdb code 6vw1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2, PDB code: 6vw1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:75.0 occ:1.00 O A:HOH807 3.0 67.0 1.0 NE A:ARG169 3.1 61.5 1.0 NH1 A:ARG169 3.2 59.8 1.0 CB A:ASP499 3.4 86.1 1.0 CZ A:ARG169 3.6 62.0 1.0 NE1 A:TRP477 3.8 76.9 1.0 CZ2 A:TRP478 3.9 89.9 1.0 O A:ASP499 4.1 80.9 1.0 CH2 A:TRP478 4.1 92.6 1.0 CD A:ARG169 4.2 64.8 1.0 C A:ASP499 4.2 81.5 1.0 CZ2 A:TRP477 4.3 76.0 1.0 CG A:ASP499 4.3 88.8 1.0 CZ2 A:TRP165 4.3 68.8 1.0 CA A:ASP499 4.4 86.0 1.0 CE2 A:TRP477 4.4 77.0 1.0 OD2 A:ASP499 4.5 93.7 1.0 CE A:LYS481 4.6 80.7 1.0 OG A:SER502 4.6 89.5 1.0 CE2 A:TRP478 4.8 89.2 1.0 N A:PRO500 4.9 78.7 1.0 NH2 A:ARG169 4.9 58.2 1.0 CE2 A:TRP165 4.9 68.8 1.0 CD1 A:TRP271 4.9 82.7 1.0 NE1 A:TRP165 4.9 74.0 1.0 CD1 A:TRP477 5.0 82.5 1.0

Chlorine binding site 2 out of 2 in the Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 2019-Ncov Chimeric Receptor-Binding Domain Complexed with Its Receptor Human ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:0.4 occ:1.00 NH1 B:ARG169 3.2 87.0 1.0 NE B:ARG169 3.6 89.3 1.0 NE1 B:TRP477 3.6 0.0 1.0 CB B:ASP499 3.7 0.4 1.0 CZ B:ARG169 3.9 88.3 1.0 CZ2 B:TRP477 3.9 96.7 1.0 CE B:LYS481 4.0 96.4 1.0 CZ2 B:TRP478 4.1 0.4 1.0 CE2 B:TRP477 4.1 0.6 1.0 CH2 B:TRP478 4.1 0.6 1.0 O B:ASP499 4.2 0.7 1.0 C B:ASP499 4.4 0.2 1.0 NZ B:LYS481 4.4 0.0 1.0 CZ2 B:TRP165 4.6 94.5 1.0 CA B:ASP499 4.6 0.5 1.0 CG B:ASP499 4.7 0.8 1.0 CD B:ARG169 4.8 94.4 1.0 OG B:SER502 4.8 1.0 1.0 CD1 B:TRP477 4.8 0.4 1.0 N B:PRO500 4.9 0.1 1.0 OD2 B:ASP499 4.9 0.2 1.0 CE2 B:TRP478 5.0 1.0 1.0 CD1 B:TRP271 5.0 89.4 1.0

J.Shang, G.Ye, K.Shi, Y.S.Wan, C.M.Luo, H.Aihara, Q.B.Geng, A.Auerbach, F.Li. Structural Basis For Receptor Recognition By the Novel Coronavirus From Wuhan To Be Published.