Copper 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:

Magnesium

(Mg)

3 atoms

The binding sites of Copper atom in the Copz Metallochaperone (pdb code 6ff2). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Copz Metallochaperone, PDB code: 6ff2:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:18.7 occ:1.00 SG A:CYS13 2.2 18.2 1.0 SG A:CYS16 2.2 17.8 1.0 SG B:CYS13 2.5 17.9 1.0 CU A:CU1104 2.6 22.9 0.8 CU A:CU1105 2.7 18.5 1.0 OG A:SER12 3.0 26.6 1.0 CB A:CYS13 3.3 18.3 1.0 N A:CYS13 3.3 18.4 1.0 CB A:CYS16 3.4 17.7 1.0 N A:CYS16 3.5 16.8 1.0 CB B:CYS13 3.6 17.6 1.0 CA A:CYS13 3.7 20.1 1.0 CA A:CYS16 3.9 16.1 1.0 CU A:CU1102 4.0 22.1 0.8 O A:CYS13 4.0 19.5 1.0 N A:SER12 4.0 18.2 1.0 C A:SER12 4.0 22.1 1.0 OG B:SER12 4.0 21.4 1.0 C A:CYS13 4.1 18.9 1.0 ND1 B:HIS15 4.2 19.2 1.0 CB A:SER12 4.2 22.7 1.0 CB A:HIS15 4.3 15.7 1.0 CA A:SER12 4.3 21.1 1.0 C A:HIS15 4.4 16.6 1.0 N A:HIS15 4.6 16.4 1.0 CB B:HIS15 4.7 17.7 1.0 CA A:HIS15 4.7 16.7 1.0 O A:HOH244 4.7 24.1 1.0 SG B:CYS16 4.7 16.5 1.0 O A:SER12 4.8 24.3 1.0 CA B:CYS13 4.9 19.8 1.0 CG B:HIS15 4.9 18.2 1.0 N B:CYS13 4.9 17.9 1.0

Copper binding site 2 out of 4 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:22.1 occ:0.80 ND1 A:HIS15 2.0 19.1 1.0 SG A:CYS13 2.3 18.2 1.0 SG B:CYS16 2.4 16.5 1.0 CU A:CU1105 2.6 18.5 1.0 O B:HOH246 2.7 19.1 1.0 CE1 A:HIS15 2.9 19.7 1.0 CG A:HIS15 3.1 17.9 1.0 CB A:CYS13 3.4 18.3 1.0 OH B:TYR65 3.4 20.2 1.0 CB A:HIS15 3.5 15.7 1.0 CB B:CYS16 3.7 15.4 1.0 N B:CYS16 3.7 15.0 1.0 CA B:CYS16 3.8 15.1 1.0 CU A:CU1101 4.0 18.7 1.0 NE2 A:HIS15 4.1 23.1 1.0 N A:HIS15 4.1 16.4 1.0 CD2 A:HIS15 4.2 20.5 1.0 SG B:CYS13 4.3 17.9 1.0 CB B:HIS15 4.4 17.7 1.0 C B:HIS15 4.4 15.9 1.0 CA A:HIS15 4.4 16.7 1.0 CZ B:TYR65 4.6 16.3 1.0 CA A:CYS13 4.8 20.1 1.0 OG B:SER12 4.8 21.4 1.0 CE1 B:TYR65 4.9 17.7 1.0 N A:GLY14 4.9 21.0 1.0 O B:HIS15 4.9 16.0 1.0 C A:CYS13 5.0 18.9 1.0

Copper binding site 3 out of 4 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu104 b:22.9 occ:0.80 ND1 B:HIS15 2.0 19.2 1.0 SG B:CYS13 2.3 17.9 1.0 SG A:CYS16 2.4 17.8 1.0 CU A:CU1101 2.6 18.7 1.0 O A:HOH244 2.6 24.1 1.0 CE1 B:HIS15 2.9 18.4 1.0 CG B:HIS15 3.1 18.2 1.0 OH A:TYR65 3.4 20.4 1.0 CB B:CYS13 3.4 17.6 1.0 CB B:HIS15 3.5 17.7 1.0 CB A:CYS16 3.8 17.7 1.0 N A:CYS16 3.8 16.8 1.0 CA A:CYS16 3.8 16.1 1.0 CU A:CU1105 4.0 18.5 1.0 N B:HIS15 4.0 16.2 1.0 NE2 B:HIS15 4.1 22.6 1.0 CD2 B:HIS15 4.2 17.8 1.0 SG A:CYS13 4.3 18.2 1.0 CA B:HIS15 4.4 15.2 1.0 CB A:HIS15 4.4 15.7 1.0 C A:HIS15 4.4 16.6 1.0 CZ A:TYR65 4.5 18.0 1.0 OG A:SER12 4.8 26.6 1.0 CE1 A:TYR65 4.8 21.2 1.0 N B:GLY14 4.8 17.2 1.0 CA B:CYS13 4.8 19.8 1.0 O A:HIS15 5.0 17.8 1.0 C B:CYS13 5.0 16.6 1.0

Copper binding site 4 out of 4 in the Copz Metallochaperone


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Copz Metallochaperone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu105 b:18.5 occ:1.00 SG B:CYS13 2.2 17.9 1.0 SG B:CYS16 2.2 16.5 1.0 SG A:CYS13 2.5 18.2 1.0 CU A:CU1102 2.6 22.1 0.8 CU A:CU1101 2.7 18.7 1.0 OG B:SER12 3.2 21.4 1.0 CB B:CYS13 3.3 17.6 1.0 N B:CYS13 3.3 17.9 1.0 CB B:CYS16 3.4 15.4 1.0 N B:CYS16 3.4 15.0 1.0 CB A:CYS13 3.6 18.3 1.0 CA B:CYS13 3.7 19.8 1.0 CA B:CYS16 3.9 15.1 1.0 O B:CYS13 3.9 17.5 1.0 OG A:SER12 3.9 26.6 1.0 C B:SER12 4.0 17.4 1.0 CU A:CU1104 4.0 22.9 0.8 N B:SER12 4.0 17.8 1.0 C B:CYS13 4.1 16.6 1.0 ND1 A:HIS15 4.2 19.1 1.0 CB B:SER12 4.3 16.3 1.0 CB B:HIS15 4.3 17.7 1.0 CA B:SER12 4.3 17.4 1.0 C B:HIS15 4.4 15.9 1.0 N B:HIS15 4.5 16.2 1.0 CA B:HIS15 4.6 15.2 1.0 CB A:HIS15 4.7 15.7 1.0 O B:HOH246 4.7 19.1 1.0 SG A:CYS16 4.7 17.8 1.0 O B:SER12 4.8 21.4 1.0 CA A:CYS13 4.9 20.1 1.0 CG A:HIS15 4.9 17.9 1.0 N B:GLY14 4.9 17.2 1.0 N A:CYS13 5.0 18.4 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.