Zinc in PDB 4a46: Crosstalk Between Cu(I) and Zn(II) Homeostasis

The structure of Crosstalk Between Cu(I) and Zn(II) Homeostasis, PDB code: 4a46 was solved by A.Badarau, A.Basle, S.J.Firbank, C.Denninson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.92 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	30.710, 41.990, 45.240, 83.34, 89.52, 75.28
R / Rfree (%)	19.156 / 24.279

The structure of Crosstalk Between Cu(I) and Zn(II) Homeostasis also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Zinc atom in the Crosstalk Between Cu(I) and Zn(II) Homeostasis (pdb code 4a46). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crosstalk Between Cu(I) and Zn(II) Homeostasis, PDB code: 4a46:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crosstalk Between Cu(I) and Zn(II) Homeostasis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crosstalk Between Cu(I) and Zn(II) Homeostasis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn65 b:17.2 occ:1.00 SG B:CYS12 2.3 15.8 1.0 SG B:CYS15 2.3 16.3 1.0 SG A:CYS12 2.4 19.1 1.0 SG A:CYS15 2.4 18.1 1.0 CB B:CYS12 3.3 15.6 1.0 N A:CYS15 3.4 15.4 1.0 CB A:CYS15 3.5 16.1 1.0 CB A:CYS12 3.5 18.1 1.0 CB B:CYS15 3.5 14.8 1.0 N B:CYS15 3.6 13.6 1.0 N B:CYS12 3.8 16.9 1.0 CA A:CYS15 3.8 16.7 1.0 CA B:CYS15 4.0 15.4 1.0 N A:CYS12 4.0 19.3 1.0 CA B:CYS12 4.0 15.8 1.0 CA A:CYS12 4.2 19.4 1.0 C A:ALA14 4.4 17.5 1.0 C B:CYS12 4.5 16.9 1.0 O A:CYS12 4.5 20.4 1.0 C A:CYS12 4.5 21.2 1.0 C B:ALA14 4.5 13.7 1.0 O B:CYS12 4.6 16.9 1.0 CB A:ALA14 4.6 17.9 1.0 CB B:ALA14 4.6 13.4 1.0 C A:ALA11 4.7 17.9 1.0 N A:ALA11 4.8 16.8 1.0 C B:ALA11 4.8 17.9 1.0 CA A:ALA14 4.9 18.3 1.0 N A:ALA14 4.9 19.8 1.0 CA B:ALA14 4.9 14.1 1.0 N B:ALA14 5.0 13.7 1.0 N B:ALA11 5.0 17.2 1.0

Zinc binding site 2 out of 2 in the Crosstalk Between Cu(I) and Zn(II) Homeostasis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crosstalk Between Cu(I) and Zn(II) Homeostasis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn65 b:17.8 occ:1.00 SG D:CYS12 2.2 17.0 1.0 SG D:CYS15 2.4 19.1 1.0 SG C:CYS12 2.4 17.8 1.0 SG C:CYS15 2.4 17.8 1.0 CB D:CYS12 3.3 15.7 1.0 CB C:CYS12 3.4 16.6 1.0 CB D:CYS15 3.5 18.2 1.0 N C:CYS15 3.6 17.6 1.0 CB C:CYS15 3.6 15.6 1.0 N D:CYS15 3.6 15.4 1.0 N D:CYS12 3.7 16.2 1.0 N C:CYS12 3.9 19.4 1.0 CA D:CYS15 3.9 16.5 1.0 CA D:CYS12 4.0 15.9 1.0 CA C:CYS15 4.0 17.3 1.0 CA C:CYS12 4.1 18.6 1.0 C D:CYS12 4.5 15.4 1.0 C C:ALA14 4.5 17.2 1.0 C D:ALA14 4.5 15.6 1.0 O D:CYS12 4.5 14.3 1.0 C C:CYS12 4.5 19.7 1.0 C D:ALA11 4.6 17.2 1.0 O C:CYS12 4.6 19.8 1.0 CB C:ALA14 4.7 17.2 1.0 CB D:ALA14 4.8 15.3 1.0 N D:ALA11 4.9 19.7 1.0 C C:ALA11 4.9 19.6 1.0 N C:ALA14 4.9 18.1 1.0 CA C:ALA14 4.9 17.4 1.0 N D:ALA14 4.9 15.8 1.0 CA D:ALA14 5.0 15.0 1.0

A.Badarau, A.Basle, S.J.Firbank, C.Dennison. Crosstalk Between Cu(I) and Zn(II) Homeostasis Via ATX1 and Cognate Domains. Chem.Commun.(Camb.) V. 49 8000 2013.
ISSN: ISSN 1359-7345
PubMed: 23926594
DOI: 10.1039/C3CC42709A