Copper in PDB 9kyn: Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu)

All present enzymatic activity of Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu):
5.1.3.13;

The structure of Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu), PDB code: 9kyn was solved by W.J.Jeong, W.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.9, 52.498, 60.802, 110.83, 107.43, 95.81
R / Rfree (%)	19.9 / 24.3

The binding sites of Copper atom in the Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu) (pdb code 9kyn). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu), PDB code: 9kyn:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:78.3 occ:0.61 NE2 A:HIS78 2.4 64.5 1.0 NE2 A:HIS76 2.6 57.9 1.0 CE1 A:HIS78 2.8 61.9 1.0 SG B:CYS132 2.8 62.3 1.0 CU B:CU201 3.2 78.0 0.6 CE1 A:HIS76 3.5 56.1 1.0 CD2 A:HIS76 3.6 52.3 1.0 CE1 B:HIS78 3.6 65.5 1.0 CD2 A:HIS78 3.8 59.4 1.0 ND1 A:HIS78 4.1 62.4 1.0 SG A:CYS132 4.2 66.3 1.0 CB B:CYS132 4.2 45.2 1.0 ND1 B:HIS78 4.3 60.3 1.0 CB A:CYS132 4.3 47.7 1.0 OE1 B:GLU52 4.3 57.6 1.0 CG A:HIS78 4.6 57.4 1.0 ND1 A:HIS76 4.7 55.8 1.0 NE2 B:HIS78 4.7 61.1 1.0 CG A:HIS76 4.7 44.9 1.0

Copper binding site 2 out of 2 in the Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Artificial Dinuclear Cu-Bound Metalloprotein 3 (D3:Cu) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:78.0 occ:0.60 SG A:CYS132 2.5 66.3 1.0 CE1 B:HIS78 2.5 65.5 1.0 NE2 B:HIS78 2.7 61.1 1.0 NE2 B:HIS76 2.9 57.3 1.0 CU A:CU201 3.2 78.3 0.6 CE1 B:HIS76 3.7 55.5 1.0 NE2 A:HIS78 3.7 64.5 1.0 CB A:CYS132 3.8 47.7 1.0 ND1 B:HIS78 3.8 60.3 1.0 CD2 B:HIS76 4.0 45.5 1.0 CD2 B:HIS78 4.1 56.7 1.0 OE1 A:GLU52 4.1 57.9 1.0 SG B:CYS132 4.2 62.3 1.0 CD2 A:HIS78 4.3 59.4 1.0 CB B:CYS132 4.6 45.2 1.0 CG B:HIS78 4.6 56.9 1.0 CE1 A:HIS78 4.6 61.9 1.0 NE2 A:HIS76 4.9 57.9 1.0 ND1 B:HIS76 4.9 56.0 1.0

W.J.Jeong, W.J.Song. Metal-Installer: A Protein Designer Tool to Create Metal-Binding Sites To Be Published.