Copper in PDB 1jzf: Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83)

The structure of Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83), PDB code: 1jzf was solved by B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.78 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.776, 61.441, 75.956, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 22

The structure of Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83) also contains other interesting chemical elements:

Ruthenium

(Ru)

1 atom

The binding sites of Copper atom in the Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83) (pdb code 1jzf). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83), PDB code: 1jzf:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:10.5 occ:1.00 ND1 A:HIS46 2.0 10.3 1.0 ND1 A:HIS117 2.1 11.0 1.0 SG A:CYS112 2.2 9.8 1.0 O A:GLY45 2.6 11.1 1.0 CE1 A:HIS46 2.9 10.1 1.0 CE1 A:HIS117 3.0 11.1 1.0 CG A:HIS117 3.1 11.2 1.0 CG A:HIS46 3.2 10.3 1.0 CB A:CYS112 3.3 9.1 1.0 SD A:MET121 3.3 10.2 1.0 CA A:HIS46 3.4 10.4 1.0 CB A:HIS117 3.4 11.4 1.0 C A:GLY45 3.6 11.2 1.0 CB A:HIS46 3.6 10.3 1.0 CB A:PHE114 3.8 10.8 1.0 N A:HIS46 3.9 10.8 1.0 CE A:MET121 3.9 10.4 1.0 NE2 A:HIS46 4.0 10.3 1.0 NE2 A:HIS117 4.2 11.3 1.0 CD2 A:HIS46 4.2 10.3 1.0 CD2 A:HIS117 4.2 11.2 1.0 C A:HIS46 4.6 10.3 1.0 CG A:PHE114 4.6 11.0 1.0 N A:ASN47 4.6 10.0 1.0 CA A:CYS112 4.7 9.3 1.0 N A:PHE114 4.8 10.2 1.0 CG A:MET121 4.8 10.8 1.0 CA A:PHE114 4.9 10.5 1.0 CA A:GLY45 4.9 11.7 1.0 CA A:HIS117 4.9 11.5 1.0

Copper binding site 2 out of 2 in the Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa Oxidized Azurin(CU2+) Ru(Tpy)(Phen) (HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu902 b:22.1 occ:0.50 CU A:IME902 0.0 22.1 0.5 NEM A:IME902 2.0 24.3 1.0 NEC A:IME902 2.4 16.0 0.5 O1 A:IME902 2.8 31.4 0.5 CEL A:IME902 3.0 24.0 1.0 CDM A:IME902 3.1 24.2 1.0 CEB A:IME902 3.3 16.1 0.5 CDC A:IME902 3.4 16.1 0.5 NDL A:IME902 4.1 24.4 1.0 CG2 A:IME902 4.2 24.2 1.0 O A:LYS24 4.4 17.8 1.0 NDB A:IME902 4.4 16.1 0.5 CG1 A:IME902 4.5 16.1 0.5

B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray. Electron Tunneling in Single Crystals of Pseudomonas Aeruginosa Azurins. J.Am.Chem.Soc. V. 123 11623 2001.
ISSN: ISSN 0002-7863
PubMed: 11716717
DOI: 10.1021/JA0115870