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Gold in PDB 7yjs: Crystal Structure of Mcr-1-S Treated By Sodium Aurothiosulfate

Protein crystallography data

The structure of Crystal Structure of Mcr-1-S Treated By Sodium Aurothiosulfate, PDB code: 7yjs 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) 58.52 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.103, 84.737, 81.82, 90, 98.48, 90
R / Rfree (%) 22.3 / 31

Gold Binding Sites:

The binding sites of Gold atom in the Crystal Structure of Mcr-1-S Treated By Sodium Aurothiosulfate (pdb code 7yjs). 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 Aurothiosulfate, PDB code: 7yjs:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in 7yjs

Go back to Gold Binding Sites List in 7yjs
Gold binding site 1 out of 2 in the Crystal Structure of Mcr-1-S Treated By Sodium Aurothiosulfate


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 Aurothiosulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au601

b:15.4
occ:0.35
OD2 A:ASP465 2.1 14.5 1.0
OG1 A:TPO285 2.1 25.9 1.0
OE2 A:GLU246 2.2 13.6 1.0
NE2 A:HIS466 2.3 19.0 1.0
OE1 A:GLU246 2.5 11.9 1.0
O3P A:TPO285 2.6 29.9 1.0
CD A:GLU246 2.6 14.9 1.0
CG A:ASP465 2.9 16.9 1.0
P A:TPO285 2.9 24.4 1.0
CD2 A:HIS466 3.0 15.5 1.0
CE1 A:HIS466 3.2 17.0 1.0
OD1 A:ASP465 3.2 11.3 1.0
CB A:TPO285 3.4 24.8 1.0
N A:TPO285 3.7 15.6 1.0
CA A:TPO285 3.7 19.9 1.0
O1P A:TPO285 3.9 17.4 1.0
CG2 A:TPO285 4.0 14.4 1.0
O A:HOH706 4.0 7.1 1.0
CG A:HIS466 4.1 15.6 1.0
O2P A:TPO285 4.1 41.7 1.0
ND1 A:HIS466 4.1 15.0 1.0
CG A:GLU246 4.1 13.0 1.0
NE2 A:HIS478 4.2 14.7 1.0
CB A:ASP465 4.3 11.8 1.0
C A:SER284 4.4 23.4 1.0
OG1 A:THR247 4.4 10.6 1.0
N A:THR247 4.6 15.4 1.0
CA A:GLU246 4.7 9.8 1.0
CE1 A:HIS478 4.7 18.0 1.0
CD2 A:HIS478 4.8 16.4 1.0
CB A:GLU246 4.9 9.3 1.0

Gold binding site 2 out of 2 in 7yjs

Go back to Gold Binding Sites List in 7yjs
Gold binding site 2 out of 2 in the Crystal Structure of Mcr-1-S Treated By Sodium Aurothiosulfate


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 Aurothiosulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Au601

b:34.3
occ:0.31
NE2 B:HIS466 2.1 39.9 1.0
OG1 B:TPO285 2.1 46.3 1.0
OE2 B:GLU246 2.2 40.5 1.0
OD2 B:ASP465 2.3 33.8 1.0
OE1 B:GLU246 2.5 33.2 1.0
CD B:GLU246 2.7 40.5 1.0
O1P B:TPO285 2.8 41.4 1.0
CE1 B:HIS466 2.9 40.1 1.0
CG B:ASP465 2.9 36.1 1.0
P B:TPO285 3.0 58.1 1.0
OD1 B:ASP465 3.0 38.0 1.0
CD2 B:HIS466 3.0 39.3 1.0
CB B:TPO285 3.3 39.7 1.0
CA B:TPO285 3.7 44.5 1.0
N B:TPO285 3.7 44.5 1.0
CG2 B:TPO285 3.9 34.3 1.0
ND1 B:HIS466 3.9 35.6 1.0
O3P B:TPO285 4.0 45.1 1.0
CG B:HIS466 4.0 40.9 1.0
OG1 B:THR247 4.0 34.4 1.0
O B:HOH701 4.1 26.6 1.0
O2P B:TPO285 4.1 45.1 1.0
CG B:GLU246 4.2 35.7 1.0
CB B:ASP465 4.3 36.1 1.0
NE2 B:HIS478 4.3 56.4 1.0
C B:SER284 4.4 40.3 1.0
N B:THR247 4.5 34.2 1.0
CA B:GLU246 4.7 35.2 1.0
CE1 B:HIS478 4.7 54.6 1.0
CB B:GLU246 4.8 30.7 1.0
CA B:SER284 5.0 37.9 1.0

Reference:

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
Page generated: Tue Apr 4 17:18:43 2023

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