Gold in PDB 7yjr: Crystal Structure of Mcr-1-S Treated By Sodium Aurothiomalate

The structure of Crystal Structure of Mcr-1-S Treated By Sodium Aurothiomalate, PDB code: 7yjr 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)	58.16 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.108, 83.878, 81.713, 90, 98.92, 90
R / Rfree (%)	18.1 / 23

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


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 Sodium Aurothiomalate within 5.0Å range: probe atom residue distance (Å) B Occ A:Au601 b:42.3 occ:0.16 NE2 A:HIS466 2.1 40.2 1.0 OE2 A:GLU246 2.2 41.4 1.0 OG1 A:TPO285 2.2 41.9 1.0 OD2 A:ASP465 2.3 40.1 1.0 OE1 A:GLU246 2.5 39.0 1.0 CD A:GLU246 2.7 41.8 1.0 O3P A:TPO285 2.9 53.6 1.0 CD2 A:HIS466 2.9 34.8 1.0 CE1 A:HIS466 3.0 39.4 1.0 CG A:ASP465 3.0 39.7 1.0 OD1 A:ASP465 3.1 30.8 1.0 P A:TPO285 3.1 61.7 1.0 CB A:TPO285 3.4 37.8 1.0 CA A:TPO285 3.8 34.8 1.0 N A:TPO285 3.8 41.8 1.0 CG2 A:TPO285 3.9 38.7 1.0 ND1 A:HIS466 3.9 37.4 1.0 CG A:HIS466 4.0 37.6 1.0 O1P A:TPO285 4.0 46.6 1.0 OG1 A:THR247 4.0 33.6 1.0 O A:HOH702 4.1 38.6 1.0 CG A:GLU246 4.1 34.8 1.0 NE2 A:HIS478 4.3 39.9 1.0 O2P A:TPO285 4.3 54.9 1.0 CB A:ASP465 4.4 34.3 1.0 C A:SER284 4.5 41.1 1.0 N A:THR247 4.6 34.3 1.0 CA A:GLU246 4.6 30.2 1.0 CE1 A:HIS478 4.7 39.5 1.0 CB A:GLU246 4.8 28.7 1.0 CD2 A:HIS478 4.9 42.9 1.0 CD2 A:HIS395 4.9 45.5 1.0

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


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 Sodium Aurothiomalate within 5.0Å range: probe atom residue distance (Å) B Occ B:Au601 b:41.5 occ:0.11 OE2 B:GLU246 2.0 42.0 1.0 NE2 B:HIS466 2.2 39.3 1.0 OG1 B:TPO285 2.2 47.9 1.0 OD2 B:ASP465 2.2 38.9 1.0 CD B:GLU246 2.6 40.2 1.0 OE1 B:GLU246 2.7 42.4 1.0 O1P B:TPO285 2.8 53.9 1.0 CD2 B:HIS466 2.9 36.6 1.0 P B:TPO285 3.0 56.6 1.0 CG B:ASP465 3.0 40.1 1.0 CE1 B:HIS466 3.0 36.4 1.0 OD1 B:ASP465 3.2 34.4 1.0 CB B:TPO285 3.4 41.4 1.0 N B:TPO285 3.7 36.5 1.0 CA B:TPO285 3.8 35.4 1.0 O B:HOH703 3.9 34.1 1.0 CG B:HIS466 4.0 34.4 1.0 O3P B:TPO285 4.0 53.8 1.0 ND1 B:HIS466 4.0 37.9 1.0 OG1 B:THR247 4.0 41.9 1.0 CG2 B:TPO285 4.1 36.3 1.0 CG B:GLU246 4.1 31.1 1.0 O2P B:TPO285 4.2 57.4 1.0 C B:SER284 4.4 39.3 1.0 CB B:ASP465 4.5 24.8 1.0 N B:THR247 4.6 28.3 1.0 CA B:GLU246 4.7 29.4 1.0 NE2 B:HIS478 4.8 45.7 1.0 CB B:GLU246 4.8 28.2 1.0 CA B:SER284 4.9 40.1 1.0 O B:SER284 5.0 44.0 1.0 CE1 B:HIS478 5.0 44.8 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