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

Enzymatic activity of 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;

Protein crystallography data

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

Gold Binding Sites:

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 7dau

Go back to Gold Binding Sites List in 7dau
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 7dau

Go back to Gold Binding Sites List in 7dau
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

Reference:

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.
Page generated: Fri Nov 5 11:08:22 2021

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