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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

Protein crystallography data

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

Other elements in 6rjv:

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

Gold Binding Sites:

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 6rjv

Go back to Gold Binding Sites List in 6rjv
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 6rjv

Go back to Gold Binding Sites List in 6rjv
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

Reference:

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
Page generated: Sat Dec 12 01:54:38 2020

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