Copper in PDB 1jzi: Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83)

The structure of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83), PDB code: 1jzi 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)	26.48 / 1.62
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.950, 50.990, 62.440, 90.00, 128.10, 90.00
R / Rfree (%)	22.6 / 24.7

The structure of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) also contains other interesting chemical elements:

Rhenium

(Re)

2 atoms

The binding sites of Copper atom in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) (pdb code 1jzi). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83), PDB code: 1jzi:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(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 Azurin Re(Phen)(Co)3(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:10.1 occ:1.00 ND1 A:HIS46 2.0 9.8 1.0 ND1 A:HIS117 2.0 10.3 1.0 SG A:CYS112 2.2 9.1 1.0 O A:GLY45 2.7 10.3 1.0 CE1 A:HIS46 2.9 9.7 1.0 CE1 A:HIS117 2.9 10.4 1.0 CG A:HIS117 3.0 10.4 1.0 CG A:HIS46 3.1 9.6 1.0 SD A:MET121 3.3 10.1 1.0 CB A:CYS112 3.3 8.6 1.0 CA A:HIS46 3.3 9.8 1.0 CB A:HIS117 3.4 10.4 1.0 CB A:HIS46 3.6 9.7 1.0 C A:GLY45 3.7 10.3 1.0 CB A:PHE114 3.8 10.8 1.0 N A:HIS46 4.0 10.0 1.0 NE2 A:HIS46 4.0 9.7 1.0 CE A:MET121 4.0 10.1 1.0 NE2 A:HIS117 4.1 10.4 1.0 CD2 A:HIS117 4.1 10.3 1.0 CD2 A:HIS46 4.2 9.7 1.0 C A:HIS46 4.5 9.6 1.0 N A:ASN47 4.5 9.4 1.0 CG A:PHE114 4.6 11.5 1.0 CA A:CYS112 4.7 8.7 1.0 N A:PHE114 4.8 9.9 1.0 CG A:MET121 4.8 10.4 1.0 CA A:HIS117 4.9 10.6 1.0 CA A:PHE114 4.9 10.4 1.0

Copper binding site 2 out of 3 in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(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 Azurin Re(Phen)(Co)3(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2000 b:16.2 occ:1.00 CU A:IME2000 0.0 16.2 1.0 NE6 A:IME2000 2.0 15.3 1.0 NEW A:IME2000 2.0 15.2 1.0 NEM A:IME2000 2.0 16.0 1.0 NEC A:IME2000 2.0 16.8 1.0 O2 A:IME2000 2.5 16.1 1.0 O1 A:IME2000 2.5 16.3 1.0 CE5 A:IME2000 2.9 15.3 1.0 CDW A:IME2000 3.0 15.1 1.0 CDC A:IME2000 3.0 17.4 1.0 CEL A:IME2000 3.0 16.2 1.0 CEB A:IME2000 3.0 17.4 1.0 CEV A:IME2000 3.0 14.9 1.0 CDM A:IME2000 3.1 15.9 1.0 CD6 A:IME2000 3.2 15.1 1.0 CG3 A:IME2000 4.1 14.6 1.0 ND5 A:IME2000 4.2 15.2 1.0 NDB A:IME2000 4.2 17.5 1.0 CG1 A:IME2000 4.2 17.5 1.0 NDV A:IME2000 4.2 14.7 1.0 NDL A:IME2000 4.2 16.2 1.0 CG2 A:IME2000 4.2 15.9 1.0 CG4 A:IME2000 4.4 15.0 1.0 O A:LYS24 4.4 17.7 1.0 O A:CYS26 5.0 16.5 1.0

Copper binding site 3 out of 3 in the Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu902 b:10.8 occ:1.00 ND1 B:HIS246 2.0 10.3 1.0 ND1 B:HIS317 2.0 11.5 1.0 SG B:CYS312 2.2 9.5 1.0 O B:GLY245 2.7 10.7 1.0 CE1 B:HIS246 2.8 10.1 1.0 CE1 B:HIS317 3.0 11.6 1.0 CG B:HIS317 3.1 11.9 1.0 CG B:HIS246 3.2 10.0 1.0 SD B:MET321 3.3 11.3 1.0 CB B:CYS312 3.3 9.8 1.0 CA B:HIS246 3.4 10.0 1.0 CB B:HIS317 3.5 12.1 1.0 CB B:HIS246 3.7 10.1 1.0 C B:GLY245 3.7 10.6 1.0 CB B:PHE314 3.7 11.2 1.0 NE2 B:HIS246 4.0 10.1 1.0 N B:HIS246 4.0 10.2 1.0 CE B:MET321 4.0 11.7 1.0 NE2 B:HIS317 4.1 11.7 1.0 CD2 B:HIS246 4.2 10.1 1.0 CD2 B:HIS317 4.2 11.8 1.0 CG B:PHE314 4.5 11.2 1.0 N B:ASN247 4.6 9.8 1.0 C B:HIS246 4.6 9.9 1.0 CA B:CYS312 4.7 9.9 1.0 CG B:MET321 4.8 11.9 1.0 N B:PHE314 4.8 10.8 1.0 CA B:PHE314 4.9 11.2 1.0 CD1 B:PHE314 5.0 11.3 1.0

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