Magnesium in PDB 6rjv: The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex

The structure of The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex, PDB code: 6rjv was solved by A.Merlino, A.Giorgio, G.Ferraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	130.28 / 3.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	214.380, 44.610, 142.610, 90.00, 114.00, 90.00
R / Rfree (%)	19 / 25.3

The structure of The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex also contains other interesting chemical elements:

Gold

(Au)

2 atoms

The binding sites of Magnesium atom in the The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex (pdb code 6rjv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex, PDB code: 6rjv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:75.1 occ:0.60 OD2 A:ASP248 2.8 0.8 1.0 OE1 A:GLU6 3.4 96.4 1.0 OE2 A:GLU251 3.5 92.2 1.0 OE2 A:GLU6 3.5 0.4 1.0 CG A:ASP248 3.8 0.5 1.0 CD A:GLU6 3.8 99.3 1.0 CD2 A:HIS67 3.9 0.2 1.0 CB A:ASP248 4.6 0.8 1.0 NE2 A:HIS67 4.6 0.1 1.0 OD1 A:ASP248 4.6 0.3 1.0 CD A:GLU251 4.6 95.0 1.0 CB A:LEU66 4.9 86.9 1.0 CG A:HIS67 4.9 0.9 1.0

Magnesium binding site 2 out of 2 in the The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The X-Ray Structure of the Gold/Serum Albumin Adduct Obtained Upon Reaction of the Protein with AUL12, A Gold(III) Dithiocarbamate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:48.3 occ:0.40 OG B:SER109 2.5 95.1 1.0 OD1 B:ASP111 2.9 0.6 1.0 O B:SER109 3.2 0.3 1.0 OD2 B:ASP111 3.2 0.2 1.0 CG B:ASP111 3.4 0.7 1.0 CB B:SER109 3.9 94.7 1.0 C B:SER109 4.3 98.5 1.0 CA B:SER109 4.8 94.5 1.0 OD1 B:ASP107 4.8 0.3 1.0 OD2 B:ASP107 4.9 0.3 1.0 CB B:ASP111 4.9 0.6 1.0

A.Pratesi, D.Cirri, D.Fregona, G.Ferraro, A.Giorgio, A.Merlino, L.Messori. Structural Characterization of A Gold/Serum Albumin Complex. Inorg.Chem. V. 58 10616 2019.
ISSN: ISSN 0020-1669
PubMed: 31361466
DOI: 10.1021/ACS.INORGCHEM.9B01900