Gold 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:

Magnesium

(Mg)

2 atoms

The binding sites of Gold 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 Gold atom.
In total 2 binding sites of Gold 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 Gold binding site number: 1; 2;

Gold 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 Gold with other atoms in the Au 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:Au602 b:0.8 occ:0.30 SG A:CYS34 2.1 96.3 1.0 OG A:SER79 3.2 0.2 1.0 CB A:CYS34 3.5 0.9 1.0 OG1 A:THR83 3.8 0.8 1.0 CA A:CYS34 3.8 0.6 1.0 CG2 A:THR83 4.1 0.8 1.0 CE1 A:TYR84 4.1 0.8 1.0 O A:GLN33 4.1 96.5 1.0 CB A:THR83 4.2 0.3 1.0 CD A:PRO35 4.4 0.2 1.0 OH A:TYR84 4.4 0.6 1.0 CB A:SER79 4.4 0.5 1.0 N A:CYS34 4.6 94.2 1.0 CG1 A:VAL77 4.7 1.0 1.0 C A:GLN33 4.7 93.9 1.0 CZ A:TYR84 4.7 0.7 1.0

Gold 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 Gold with other atoms in the Au 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:Au602 b:0.3 occ:0.30 SG B:CYS34 2.1 95.4 1.0 OG B:SER79 3.0 0.7 1.0 CB B:CYS34 3.7 96.4 1.0 OG1 B:THR83 3.8 0.0 1.0 CB B:SER79 4.1 0.7 1.0 CA B:CYS34 4.2 98.3 1.0 CG2 B:THR83 4.2 0.4 1.0 CB B:THR83 4.2 0.9 1.0 CE1 B:TYR84 4.2 1.0 1.0 CG1 B:VAL77 4.3 0.1 1.0 O B:GLN33 4.5 91.2 1.0 CD B:PRO35 4.6 96.6 1.0 OH B:TYR84 4.7 0.3 1.0 N B:CYS34 5.0 96.5 1.0 O B:SER79 5.0 0.3 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