Copper in PDB 1jzj: Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)

The structure of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83), PDB code: 1jzj 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)	25.39 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.873, 54.873, 133.813, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26

The structure of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) also contains other interesting chemical elements:

Osmium

(Os)

4 atoms

The binding sites of Copper atom in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) (pdb code 1jzj). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83), PDB code: 1jzj:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(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 Os(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:19.9 occ:1.00 ND1 A:HIS46 1.9 19.4 1.0 ND1 A:HIS117 2.0 19.8 1.0 SG A:CYS112 2.2 16.5 1.0 O A:GLY45 2.6 19.4 1.0 CE1 A:HIS46 2.7 19.5 1.0 CE1 A:HIS117 2.9 20.0 1.0 CG A:HIS117 3.0 19.8 1.0 CG A:HIS46 3.1 19.2 1.0 CB A:CYS112 3.3 16.1 1.0 CA A:HIS46 3.3 18.7 1.0 SD A:MET121 3.4 23.0 1.0 CB A:HIS117 3.4 19.5 1.0 C A:GLY45 3.6 19.4 1.0 CB A:HIS46 3.6 19.1 1.0 CB A:PHE114 3.7 17.9 1.0 N A:HIS46 3.9 19.1 1.0 NE2 A:HIS46 3.9 19.6 1.0 NE2 A:HIS117 4.1 20.0 1.0 CD2 A:HIS46 4.1 19.4 1.0 CE A:MET121 4.1 22.7 1.0 CD2 A:HIS117 4.1 19.7 1.0 CG A:PHE114 4.6 18.2 1.0 C A:HIS46 4.6 18.3 1.0 N A:ASN47 4.6 17.9 1.0 CA A:CYS112 4.7 16.2 1.0 N A:PHE114 4.7 17.2 1.0 CG A:MET121 4.8 22.5 1.0 CA A:PHE114 4.8 17.6 1.0 CA A:HIS117 4.9 19.2 1.0 CA A:GLY45 4.9 20.0 1.0 O A:MET44 4.9 21.4 1.0

Copper binding site 2 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(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 Os(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2000 b:28.0 occ:1.00 CU A:IME2000 0.0 28.0 1.0 NEM A:IME2000 1.9 27.2 1.0 NEW A:IME2000 2.0 29.3 1.0 NEC A:IME2000 2.1 27.2 1.0 NE6 A:IME2000 2.1 28.4 1.0 O1 A:IME2000 2.5 28.2 1.0 O2 A:IME2000 2.5 27.4 1.0 CEL A:IME2000 2.9 27.0 1.0 CDM A:IME2000 2.9 26.9 1.0 CEV A:IME2000 3.0 29.8 1.0 CDW A:IME2000 3.0 29.8 1.0 CEB A:IME2000 3.0 27.0 1.0 CE5 A:IME2000 3.1 28.5 1.0 CDC A:IME2000 3.2 27.1 1.0 CD6 A:IME2000 3.2 28.3 1.0 NDL A:IME2000 4.0 26.9 1.0 CG2 A:IME2000 4.1 26.7 1.0 CG3 A:IME2000 4.1 30.2 1.0 NDB A:IME2000 4.1 26.9 1.0 NDV A:IME2000 4.2 30.2 1.0 O A:LYS24 4.2 27.5 1.0 ND5 A:IME2000 4.2 28.8 1.0 CG1 A:IME2000 4.3 26.8 1.0 CG4 A:IME2000 4.3 28.4 1.0 O A:CYS26 4.9 24.6 1.0

Copper binding site 3 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(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 Os(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu900 b:58.7 occ:0.50 OG B:SER225 2.9 26.4 1.0 CB B:SER225 3.5 25.4 1.0 N B:ALA201 3.6 23.5 1.0 O B:HOH1252 4.1 35.7 1.0 O B:ALA201 4.2 24.7 1.0 CG B:ASP223 4.7 24.2 1.0 OD1 B:ASP223 4.7 24.2 1.0 OD2 B:ASP223 4.8 24.4 1.0 CA B:ALA201 4.8 24.4 1.0 CA B:SER225 4.9 24.9 1.0 C B:ALA201 4.9 24.2 1.0 SG B:CYS203 4.9 23.0 1.0

Copper binding site 4 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu902 b:17.1 occ:1.00 ND1 B:HIS246 2.0 16.2 1.0 ND1 B:HIS317 2.1 17.1 1.0 SG B:CYS312 2.2 13.7 1.0 O B:GLY245 2.7 16.7 1.0 CE1 B:HIS246 2.8 16.2 1.0 CE1 B:HIS317 3.0 17.2 1.0 CG B:HIS317 3.1 17.1 1.0 CG B:HIS246 3.1 15.9 1.0 SD B:MET321 3.3 17.7 1.0 CB B:CYS312 3.3 13.6 1.0 CA B:HIS246 3.4 15.8 1.0 CB B:HIS317 3.4 16.8 1.0 CB B:HIS246 3.6 15.9 1.0 C B:GLY245 3.6 16.7 1.0 CB B:PHE314 3.7 14.6 1.0 N B:HIS246 3.9 16.1 1.0 NE2 B:HIS246 4.0 16.2 1.0 CE B:MET321 4.1 17.6 1.0 CD2 B:HIS246 4.1 16.2 1.0 NE2 B:HIS317 4.1 17.3 1.0 CD2 B:HIS317 4.2 17.2 1.0 CG B:PHE314 4.5 14.6 1.0 C B:HIS246 4.6 15.5 1.0 N B:ASN247 4.7 15.2 1.0 CA B:CYS312 4.7 13.6 1.0 N B:PHE314 4.7 14.2 1.0 CG B:MET321 4.7 17.6 1.0 CA B:PHE314 4.8 14.6 1.0 CA B:HIS317 4.9 16.5 1.0 CA B:GLY245 5.0 17.2 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