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

Protein crystallography data

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

Other elements in 4a46:

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

Zinc Binding Sites:

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 4a46

Go back to Zinc Binding Sites List in 4a46
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 4a46

Go back to Zinc Binding Sites List in 4a46
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

Reference:

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
Page generated: Wed Dec 16 05:02:17 2020

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