Gold in PDB 7dau: The Crystal Structure of Covid-19 Main Protease Treated By Ga

All present enzymatic activity of The Crystal Structure of Covid-19 Main Protease Treated By Ga:
3.4.19.12; 3.4.22.69;

The structure of The Crystal Structure of Covid-19 Main Protease Treated By Ga, PDB code: 7dau was solved by Z.S.He, B.He, P.Cao, H.D.Jiang, Y.Gong, X.Y.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.815, 53.771, 44.608, 90, 102.01, 90
R / Rfree (%)	19.9 / 23.8

The binding sites of Gold atom in the The Crystal Structure of Covid-19 Main Protease Treated By Ga (pdb code 7dau). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the The Crystal Structure of Covid-19 Main Protease Treated By Ga, PDB code: 7dau:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the The Crystal Structure of Covid-19 Main Protease Treated By Ga


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of The Crystal Structure of Covid-19 Main Protease Treated By Ga within 5.0Å range: probe atom residue distance (Å) B Occ A:Au801 b:54.0 occ:0.22 SG A:CYS145 2.3 44.4 1.0 O A:HOH1130 2.9 56.9 1.0 CB A:CYS145 3.2 39.9 1.0 O A:HOH1121 3.7 53.8 1.0 CE1 A:HIS41 4.0 41.8 1.0 N A:CYS145 4.1 33.3 1.0 N A:GLY143 4.1 55.8 1.0 CA A:CYS145 4.2 37.4 1.0 CA A:GLY143 4.5 47.2 1.0 O A:HOH1083 4.5 46.8 1.0 OD1 A:ASN142 4.6 76.1 1.0 C A:GLY143 4.7 43.2 1.0 NE2 A:HIS41 4.8 35.2 1.0 N A:SER144 4.8 40.6 1.0 O A:HIS164 4.9 33.9 1.0 ND1 A:HIS41 5.0 39.6 1.0

Gold binding site 2 out of 2 in the The Crystal Structure of Covid-19 Main Protease Treated By Ga


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of The Crystal Structure of Covid-19 Main Protease Treated By Ga within 5.0Å range: probe atom residue distance (Å) B Occ A:Au802 b:55.6 occ:0.11 SG A:CYS156 2.3 42.0 1.0 O A:HOH1050 2.4 50.3 1.0 CG A:LYS102 3.2 36.8 1.0 CD A:LYS100 3.4 46.0 1.0 CE A:LYS102 3.4 53.9 1.0 CB A:CYS156 3.5 37.3 1.0 CG A:LYS100 3.5 40.6 1.0 CD A:LYS102 3.6 42.5 1.0 NZ A:LYS102 3.8 56.9 1.0 O A:TYR101 3.8 33.6 1.0 O A:HOH1114 3.8 55.2 1.0 C A:TYR101 4.0 35.2 1.0 N A:TYR101 4.2 31.2 1.0 CA A:TYR101 4.5 31.3 1.0 CB A:LYS102 4.5 32.1 1.0 N A:LYS102 4.5 26.3 1.0 CA A:CYS156 4.7 35.2 1.0 C A:LYS100 4.7 32.0 1.0 CE A:LYS100 4.8 47.7 1.0 CB A:LYS100 4.8 41.0 1.0 CA A:LYS102 5.0 29.3 1.0

Z.S.He, F.Ye, C.Y.Zhang, Z.Y.Du, W.C.Zhao, Y.C.Gao, F.P.Gao, Y.H.Dong, J.D.Fan, B.He, P.Cao, X.J.Gao, X.F.Gao, B.Sun, J.C.Zhao, J.X.Qi, H.D.Jiang, W.J.Tan, Y.Gong, X.Y.Gao. Single Gold Compound Synergized Inhibition of Sars-Cov-2 Replication and Direct Suppression of Inflammatory Cytokines in Vitro/Vivo To Be Published.