Gold in PDB 7yjt: Crystal Structure of Mcr-1-S Treated By Aurothioglucose

The structure of Crystal Structure of Mcr-1-S Treated By Aurothioglucose, PDB code: 7yjt was solved by Q.Zhang, H.Sun, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.36 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.23, 84.614, 81.901, 90, 98.6, 90
R / Rfree (%)	19.3 / 25.4

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

Gold binding site 1 out of 2 in the Crystal Structure of Mcr-1-S Treated By Aurothioglucose


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Crystal Structure of Mcr-1-S Treated By Aurothioglucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Au601 b:14.3 occ:0.22 OD2 A:ASP465 2.1 16.9 1.0 OE2 A:GLU246 2.1 11.7 1.0 NE2 A:HIS466 2.2 14.4 1.0 OG1 A:TPO285 2.2 27.4 1.0 O3P A:TPO285 2.5 31.2 1.0 OE1 A:GLU246 2.6 14.5 1.0 CD A:GLU246 2.7 17.5 1.0 P A:TPO285 2.9 33.2 1.0 CG A:ASP465 3.0 15.4 1.0 CE1 A:HIS466 3.1 16.3 1.0 CD2 A:HIS466 3.1 13.5 1.0 OD1 A:ASP465 3.3 9.0 1.0 CB A:TPO285 3.4 24.3 1.0 N A:TPO285 3.6 14.8 1.0 CA A:TPO285 3.7 16.5 1.0 O1P A:TPO285 3.8 22.8 1.0 CG2 A:TPO285 4.0 22.6 1.0 OG1 A:THR247 4.1 9.8 1.0 O A:HOH724 4.1 17.3 1.0 ND1 A:HIS466 4.1 9.8 1.0 CG A:HIS466 4.1 12.0 1.0 CG A:GLU246 4.2 10.6 1.0 O2P A:TPO285 4.2 32.5 1.0 NE2 A:HIS478 4.2 19.2 1.0 CB A:ASP465 4.4 9.2 1.0 C A:SER284 4.4 15.9 1.0 N A:THR247 4.5 8.2 1.0 CD2 A:HIS395 4.6 25.2 1.0 CE1 A:HIS478 4.6 16.4 1.0 CA A:GLU246 4.7 9.3 1.0 CD2 A:HIS478 4.8 13.9 1.0 CB A:GLU246 4.9 11.2 1.0 CA A:SER284 5.0 14.8 1.0 NE2 A:HIS395 5.0 37.3 1.0

Gold binding site 2 out of 2 in the Crystal Structure of Mcr-1-S Treated By Aurothioglucose


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Crystal Structure of Mcr-1-S Treated By Aurothioglucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Au601 b:28.5 occ:0.18 NE2 B:HIS466 2.1 33.7 1.0 OG1 B:TPO285 2.2 36.8 1.0 OE2 B:GLU246 2.2 32.1 1.0 OD2 B:ASP465 2.3 36.3 1.0 OE1 B:GLU246 2.4 33.3 1.0 O3P B:TPO285 2.5 39.7 1.0 CD B:GLU246 2.6 33.4 1.0 P B:TPO285 2.8 56.0 1.0 CD2 B:HIS466 2.9 31.3 1.0 CG B:ASP465 3.1 31.9 1.0 CE1 B:HIS466 3.1 34.1 1.0 OD1 B:ASP465 3.2 25.0 1.0 CB B:TPO285 3.4 35.4 1.0 O1P B:TPO285 3.6 43.9 1.0 N B:TPO285 3.7 28.7 1.0 CA B:TPO285 3.7 32.0 1.0 CG2 B:TPO285 4.0 27.8 1.0 CG B:HIS466 4.0 32.4 1.0 OG1 B:THR247 4.1 25.9 1.0 CG B:GLU246 4.1 22.9 1.0 ND1 B:HIS466 4.1 33.1 1.0 O B:HOH705 4.2 23.1 1.0 O2P B:TPO285 4.2 50.3 1.0 C B:SER284 4.3 30.2 1.0 NE2 B:HIS478 4.4 40.4 1.0 CB B:ASP465 4.4 21.9 1.0 N B:THR247 4.5 26.9 1.0 CA B:GLU246 4.7 25.2 1.0 CB B:GLU246 4.8 24.0 1.0 CD2 B:HIS478 4.9 43.4 1.0 CA B:SER284 4.9 33.5 1.0 CE1 B:HIS478 4.9 50.3 1.0 O B:SER284 5.0 32.4 1.0

Q.Zhang, M.Wang, X.Hu, A.Yan, P.L.Ho, H.Li, H.Sun. Gold Drugs As Colistin Adjuvants in the Fight Against Mcr-1 Producing Bacteria. J.Biol.Inorg.Chem. 2023.
ISSN: ESSN 1432-1327
PubMed: 36662362
DOI: 10.1007/S00775-022-01983-Y