Chlorine in PDB 7tek: Sars-Cov-2 3CLPRO in Complex with N-(4-(1H-Pyrazol-4-Yl)Phenyl)-N-(3- Chlorobenzyl)-2-(Pyridin-3-Yl)Acetamide

Enzymatic activity of Sars-Cov-2 3CLPRO in Complex with N-(4-(1H-Pyrazol-4-Yl)Phenyl)-N-(3- Chlorobenzyl)-2-(Pyridin-3-Yl)Acetamide

Protein crystallography data

Chlorine Binding Sites:

Chlorine binding site 1 out of 1 in 7tek

Chlorine Binding Sites List in 7tek

Chlorine binding site 1 out of 1 in the Sars-Cov-2 3CLPRO in Complex with N-(4-(1H-Pyrazol-4-Yl)Phenyl)-N-(3- Chlorobenzyl)-2-(Pyridin-3-Yl)Acetamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 3CLPRO in Complex with N-(4-(1H-Pyrazol-4-Yl)Phenyl)-N-(3- Chlorobenzyl)-2-(Pyridin-3-Yl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:59.1 occ:0.84 CL01 A:I2D401 0.0 59.1 0.8 C02 A:I2D401 1.8 61.1 0.8 C29 A:I2D401 2.7 58.5 0.8 C03 A:I2D401 2.8 57.9 0.8 CA A:ASP187 3.4 39.9 1.0 CB A:ASP187 3.5 35.9 1.0 CB A:MET165 3.5 47.0 1.0 CG A:MET165 3.8 49.3 1.0 O A:HIS164 3.8 41.3 1.0 CD2 A:HIS41 3.8 40.1 1.0 C28 A:I2D401 4.0 58.6 0.8 C A:ASP187 4.0 46.3 1.0 SD A:MET165 4.1 71.9 1.0 C04 A:I2D401 4.1 57.8 0.8 CB A:HIS164 4.2 37.6 1.0 CE A:MET49 4.2 47.8 1.0 C A:HIS164 4.3 36.9 1.0 NE2 A:HIS41 4.4 44.2 1.0 CA A:MET165 4.5 44.7 1.0 N A:ARG188 4.5 52.1 1.0 C27 A:I2D401 4.6 59.1 0.8 CZ A:PHE181 4.6 35.2 1.0 O A:ASP187 4.6 42.1 1.0 N A:ASP187 4.6 42.2 1.0 O A:VAL186 4.6 42.5 1.0 CE A:MET165 4.6 53.0 1.0 N A:MET165 4.7 37.1 1.0 CG A:HIS41 4.8 42.6 1.0 CD2 A:HIS164 4.9 32.7 1.0 CA A:HIS164 4.9 34.4 1.0 CG A:HIS164 5.0 35.7 1.0 CG A:ASP187 5.0 41.4 1.0

Reference: