Magnesium in PDB 6ff2: Copz Metallochaperone

The structure of Copz Metallochaperone, PDB code: 6ff2 was solved by G.Pelicioli-Riboldi, A.Basle, K.Waldron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.41 / 1.30
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.619, 49.460, 102.829, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.2

The structure of Copz Metallochaperone also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Magnesium atom in the Copz Metallochaperone (pdb code 6ff2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Copz Metallochaperone, PDB code: 6ff2:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:35.0 occ:1.00 O A:HOH246 2.0 32.4 1.0 O A:HOH238 2.0 32.9 1.0 O A:ASN25 2.0 22.4 1.0 O A:HOH216 2.1 22.9 1.0 O A:HOH207 2.3 25.3 1.0 C A:ASN25 3.2 17.4 1.0 CA A:ASN25 3.8 16.6 1.0 O A:VAL30 3.9 14.2 1.0 CB A:ASN25 4.0 15.9 1.0 O A:HOH219 4.2 30.6 1.0 N A:ASN26 4.2 18.8 1.0 O A:HOH228 4.4 23.3 1.0 OD1 A:ASN25 4.5 23.8 1.0 O A:ILE27 4.5 17.8 1.0 CA A:ASN26 4.6 20.4 1.0 CG A:ASN25 4.7 19.3 1.0 C A:ASN26 4.8 20.4 1.0

Magnesium binding site 2 out of 3 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:12.9 occ:0.50 OE1 B:GLU4 2.0 14.5 1.0 O B:HOH215 2.1 17.2 1.0 O B:HOH222 2.1 20.1 1.0 CD B:GLU4 3.1 14.7 1.0 OE2 B:GLU4 3.5 16.2 1.0 O B:GLN3 4.2 15.2 1.0 OH B:TYR46 4.3 17.5 1.0 O B:HOH234 4.3 18.4 1.0 CG B:GLU4 4.4 12.4 1.0 CB B:GLU4 4.7 12.1 1.0 CA B:GLU4 4.8 12.1 1.0 CG2 B:VAL53 4.9 16.0 1.0

Magnesium binding site 3 out of 3 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:27.3 occ:1.00 O B:HOH240 2.0 36.6 1.0 O B:HOH213 2.1 22.9 1.0 O B:ASN25 2.1 20.5 1.0 O B:HOH243 2.2 34.1 1.0 O B:HOH248 2.2 29.1 1.0 O B:HOH205 2.4 22.9 1.0 C B:ASN25 3.3 16.9 1.0 CA B:ASN25 3.9 14.9 1.0 O B:VAL30 4.0 13.2 1.0 CB B:ASN25 4.1 16.1 1.0 O B:HOH225 4.3 21.2 1.0 N B:ASN26 4.3 16.1 1.0 OD1 B:ASN25 4.5 18.9 1.0 O B:ILE27 4.6 14.6 1.0 O B:HOH230 4.6 32.5 1.0 CA B:ASN26 4.6 19.0 1.0 CG B:ASN25 4.8 16.6 1.0 C B:ASN26 5.0 19.4 1.0

G.Pelicioli-Riboldi, E.Tarrant, A.Basle, O.Davies, K.Waldron. The Copper Homeostasis System of Staphylococcus Aureus: Two Putative Metallochaperones with Contrasting Copper Binding Properties. To Be Published.