Copper in PDB 2oj1: Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant

The structure of Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant, PDB code: 2oj1 was solved by T.E.De Jongh, M.Hoffmann, O.Einsle, D.Cavazzini, G.L.Rossi, M.Ubbink, G.W.Canters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.30 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.570, 116.980, 30.290, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 28.1

The binding sites of Copper atom in the Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant (pdb code 2oj1). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant, PDB code: 2oj1:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu129 b:29.6 occ:1.00 ND1 A:HIS117 1.9 14.9 1.0 ND1 A:HIS46 2.0 14.8 1.0 SG A:CYS112 2.3 17.3 1.0 CE1 A:HIS117 2.9 32.0 1.0 CG A:HIS117 2.9 33.7 1.0 CE1 A:HIS46 2.9 27.5 1.0 O A:GLY45 3.0 29.8 1.0 CG A:HIS46 3.1 18.8 1.0 SD A:MET121 3.2 28.7 1.0 CB A:CYS112 3.2 10.8 1.0 CB A:HIS117 3.3 15.4 1.0 CA A:HIS46 3.5 24.3 1.0 CB A:HIS46 3.5 11.3 1.0 CB A:PHE114 3.7 26.0 1.0 CE A:MET121 3.8 31.0 1.0 C A:GLY45 3.9 29.5 1.0 NE2 A:HIS117 4.0 22.8 1.0 CD2 A:HIS117 4.0 23.0 1.0 NE2 A:HIS46 4.1 29.4 1.0 N A:HIS46 4.2 26.4 1.0 CD2 A:HIS46 4.2 9.7 1.0 CG A:PHE114 4.4 27.7 1.0 CA A:CYS112 4.6 18.6 1.0 C A:HIS46 4.7 23.7 1.0 CD1 A:PHE114 4.7 27.2 1.0 CG A:MET121 4.7 32.5 1.0 N A:ASN47 4.7 18.6 1.0 CA A:HIS117 4.8 27.9 1.0 N A:PHE114 4.8 29.8 1.0 CA A:PHE114 4.8 29.5 1.0 O A:PHE114 5.0 29.6 1.0

Copper binding site 2 out of 2 in the Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu129 b:28.6 occ:1.00 ND1 B:HIS117 2.0 15.6 1.0 ND1 B:HIS46 2.1 18.9 1.0 SG B:CYS112 2.3 28.7 1.0 O B:GLY45 2.8 29.4 1.0 CE1 B:HIS117 2.9 34.4 1.0 CG B:HIS117 3.0 30.2 1.0 CE1 B:HIS46 3.0 31.4 1.0 CG B:HIS46 3.1 32.3 1.0 SD B:MET121 3.1 26.5 1.0 CB B:CYS112 3.3 21.8 1.0 CA B:HIS46 3.4 21.0 1.0 CB B:HIS117 3.4 29.0 1.0 CB B:HIS46 3.4 2.7 1.0 C B:GLY45 3.7 26.6 1.0 CB B:PHE114 3.8 29.8 1.0 N B:HIS46 4.0 22.0 1.0 CE B:MET121 4.0 20.7 1.0 NE2 B:HIS117 4.1 29.8 1.0 CD2 B:HIS117 4.1 30.0 1.0 NE2 B:HIS46 4.1 29.8 1.0 CD2 B:HIS46 4.2 14.9 1.0 CG B:PHE114 4.5 23.1 1.0 CG B:MET121 4.6 25.3 1.0 C B:HIS46 4.6 22.6 1.0 CA B:CYS112 4.8 24.2 1.0 N B:ASN47 4.8 26.4 1.0 O B:MET44 4.8 38.2 1.0 CD1 B:PHE114 4.9 25.4 1.0 CA B:HIS117 4.9 33.5 1.0 CA B:PHE114 4.9 25.1 1.0 CB B:MET121 4.9 23.0 1.0 O B:PHE114 4.9 33.5 1.0 N B:PHE114 4.9 22.4 1.0

T.E.De Jongh, M.Hoffmann, O.Einsle, D.Cavazzini, G.L.Rossi, M.Ubbink, G.W.Canters. Inter- and Intramolecular Electron Transfer in Modified Azurin Dimers Eur.J.Inorg.Chem. V.2007 2627 2007.
ISSN: ISSN 1434-1948