Gold in PDB 7yjq: Crystal Structure of Mcr-1-S Treated By Auranofin

The structure of Crystal Structure of Mcr-1-S Treated By Auranofin, PDB code: 7yjq 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)	43.22 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.02, 84.49, 81.93, 90, 98.64, 90
R / Rfree (%)	19.8 / 22.3

The binding sites of Gold atom in the Crystal Structure of Mcr-1-S Treated By Auranofin (pdb code 7yjq). 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 Auranofin, PDB code: 7yjq:
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 Auranofin


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 Auranofin within 5.0Å range: probe atom residue distance (Å) B Occ A:Au601 b:25.4 occ:0.36 OD2 A:ASP465 2.0 25.5 1.0 OE2 A:GLU246 2.0 22.4 1.0 NE2 A:HIS466 2.0 18.9 1.0 OG1 A:TPO285 2.2 26.0 1.0 O3P A:TPO285 2.4 32.5 1.0 OE1 A:GLU246 2.5 26.4 1.0 CD A:GLU246 2.6 23.6 1.0 P A:TPO285 2.9 36.9 1.0 CG A:ASP465 2.9 24.6 1.0 CD2 A:HIS466 2.9 23.8 1.0 CE1 A:HIS466 3.0 22.9 1.0 OD1 A:ASP465 3.2 21.8 1.0 CB A:TPO285 3.4 30.0 1.0 N A:TPO285 3.6 24.5 1.0 CA A:TPO285 3.7 23.3 1.0 O1P A:TPO285 3.8 32.1 1.0 CG2 A:TPO285 4.0 30.4 1.0 ND1 A:HIS466 4.0 20.9 1.0 CG A:HIS466 4.0 23.0 1.0 CG A:GLU246 4.1 21.0 1.0 O A:HOH720 4.1 24.7 1.0 O2P A:TPO285 4.2 39.6 1.0 OG1 A:THR247 4.2 23.5 1.0 NE2 A:HIS478 4.3 28.9 1.0 CB A:ASP465 4.3 21.6 1.0 C A:SER284 4.4 23.9 1.0 N A:THR247 4.5 19.7 1.0 CA A:GLU246 4.7 18.6 1.0 CE1 A:HIS478 4.7 26.4 1.0 CD2 A:HIS395 4.7 35.8 1.0 CB A:GLU246 4.8 20.8 1.0 CD2 A:HIS478 4.9 26.9 1.0 CA A:SER284 4.9 23.4 1.0

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


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 Auranofin within 5.0Å range: probe atom residue distance (Å) B Occ B:Au601 b:34.4 occ:0.27 OE2 B:GLU246 2.1 32.8 1.0 OD2 B:ASP465 2.1 40.1 1.0 NE2 B:HIS466 2.1 42.2 1.0 OG1 B:TPO285 2.1 43.6 1.0 OE1 B:GLU246 2.4 38.2 1.0 CD B:GLU246 2.5 38.2 1.0 O1P B:TPO285 2.7 55.3 1.0 P B:TPO285 2.9 65.2 1.0 CE1 B:HIS466 2.9 42.8 1.0 CD2 B:HIS466 3.0 40.2 1.0 CG B:ASP465 3.0 35.3 1.0 OD1 B:ASP465 3.2 34.2 1.0 CB B:TPO285 3.4 41.2 1.0 N B:TPO285 3.6 37.6 1.0 CA B:TPO285 3.7 39.4 1.0 ND1 B:HIS466 4.0 39.4 1.0 O2P B:TPO285 4.0 57.5 1.0 CG B:HIS466 4.0 37.3 1.0 CG B:GLU246 4.0 33.6 1.0 O3P B:TPO285 4.0 62.7 1.0 CG2 B:TPO285 4.1 36.9 1.0 O B:HOH707 4.1 30.0 1.0 OG1 B:THR247 4.3 31.7 1.0 O B:HOH702 4.3 56.5 1.0 CB B:ASP465 4.3 35.0 1.0 C B:SER284 4.4 33.8 1.0 N B:THR247 4.6 35.6 1.0 CA B:GLU246 4.7 31.9 1.0 CB B:GLU246 4.8 29.4 1.0 CE1 B:HIS478 4.8 55.0 1.0 NE2 B:HIS478 4.9 59.7 1.0 CA B:SER284 4.9 41.5 1.0 NE2 B:HIS395 5.0 53.1 1.0 CD2 B:HIS395 5.0 51.6 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