Copper in PDB 1bex: Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin

The structure of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin, PDB code: 1bex was solved by S.Faham, M.W.Day, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.600, 35.400, 74.700, 90.00, 106.50, 90.00
R / Rfree (%)	20.9 / 28.9

The structure of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin also contains other interesting chemical elements:

Ruthenium

(Ru)

2 atoms

The binding sites of Copper atom in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin (pdb code 1bex). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin, PDB code: 1bex:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu129 b:16.7 occ:1.00 ND1 A:HIS117 2.1 7.8 1.0 ND1 A:HIS46 2.1 10.0 1.0 SG A:CYS112 2.3 4.5 1.0 CE1 A:HIS46 2.9 7.6 1.0 O A:GLY45 3.0 8.8 1.0 CE1 A:HIS117 3.0 6.6 1.0 CG A:HIS117 3.1 8.8 1.0 SD A:MET121 3.1 8.4 1.0 CG A:HIS46 3.2 7.8 1.0 CB A:CYS112 3.4 5.0 1.0 CB A:HIS117 3.4 6.8 1.0 CA A:HIS46 3.5 2.9 1.0 CB A:HIS46 3.6 5.0 1.0 C A:GLY45 3.9 5.5 1.0 CB A:PHE114 3.9 10.7 1.0 CE A:MET121 4.0 4.9 1.0 N A:HIS46 4.1 2.1 1.0 NE2 A:HIS46 4.1 8.8 1.0 NE2 A:HIS117 4.1 8.9 1.0 CD2 A:HIS117 4.2 4.0 1.0 CD2 A:HIS46 4.2 9.2 1.0 CG A:MET121 4.5 3.1 1.0 C A:HIS46 4.7 5.2 1.0 CG A:PHE114 4.7 9.8 1.0 N A:ASN47 4.7 5.5 1.0 CA A:CYS112 4.8 8.7 1.0 CA A:HIS117 4.8 8.3 1.0 N A:PHE114 4.9 9.5 1.0 CA A:PHE114 5.0 6.8 1.0

Copper binding site 2 out of 4 in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu131 b:19.6 occ:1.00 N A:ALA1 1.8 2.0 1.0 O A:ALA1 2.3 13.8 1.0 OD2 A:ASP23 2.4 15.1 1.0 C A:ALA1 2.8 7.6 1.0 CA A:ALA1 2.8 9.2 1.0 O A:HOH501 2.9 9.9 1.0 CG A:ASP23 3.4 15.1 1.0 CB A:ALA1 3.9 7.9 1.0 N A:GLU2 4.0 10.7 1.0 CB A:ASP23 4.1 17.9 1.0 OD1 A:ASP23 4.3 11.4 1.0 CA A:GLU2 4.7 8.9 1.0 SG A:CYS26 5.0 12.4 1.0

Copper binding site 3 out of 4 in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu129 b:12.7 occ:1.00 ND1 B:HIS46 2.1 11.8 1.0 ND1 B:HIS117 2.1 6.2 1.0 SG B:CYS112 2.2 2.0 1.0 CE1 B:HIS46 3.0 6.0 1.0 O B:GLY45 3.0 8.4 1.0 CE1 B:HIS117 3.1 4.9 1.0 SD B:MET121 3.1 4.9 1.0 CG B:HIS117 3.1 4.9 1.0 CG B:HIS46 3.2 3.9 1.0 CB B:CYS112 3.3 2.5 1.0 CA B:HIS46 3.4 4.6 1.0 CB B:HIS117 3.4 5.6 1.0 CB B:HIS46 3.6 4.9 1.0 C B:GLY45 3.8 8.4 1.0 CB B:PHE114 3.9 10.1 1.0 CE B:MET121 3.9 4.1 1.0 N B:HIS46 4.0 7.6 1.0 NE2 B:HIS46 4.1 8.4 1.0 NE2 B:HIS117 4.2 5.0 1.0 CD2 B:HIS117 4.2 2.8 1.0 CD2 B:HIS46 4.2 6.7 1.0 C B:HIS46 4.6 2.8 1.0 CG B:MET121 4.6 4.4 1.0 N B:ASN47 4.6 7.8 1.0 CG B:PHE114 4.7 9.0 1.0 CA B:CYS112 4.7 6.4 1.0 N B:PHE114 4.9 12.0 1.0 CA B:HIS117 4.9 4.6 1.0 CA B:PHE114 5.0 8.4 1.0

Copper binding site 4 out of 4 in the Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu131 b:14.0 occ:1.00 N B:ALA1 2.0 5.3 1.0 O B:ALA1 2.3 12.5 1.0 OD2 B:ASP23 2.4 15.5 1.0 C B:ALA1 2.9 9.7 1.0 CA B:ALA1 3.0 8.1 1.0 CG B:ASP23 3.4 14.9 1.0 N B:GLU2 4.1 12.5 1.0 CB B:ASP23 4.1 16.8 1.0 CB B:ALA1 4.1 5.6 1.0 OD1 B:ASP23 4.2 5.8 1.0 CA B:GLU2 4.8 8.8 1.0 SG B:CYS26 4.9 2.8 1.0 C B:GLU2 5.0 7.8 1.0

S.Faham, M.W.Day, W.B.Connick, B.R.Crane, A.J.Di Bilio, W.P.Schaefer, D.C.Rees, H.B.Gray. Structures of Ruthenium-Modified Pseudomonas Aeruginosa Azurin and [Ru(2,2'-Bipyridine)2(Imidazole)2]SO4 X 10H2O. Acta Crystallogr.,Sect.D V. 55 379 1999.
ISSN: ISSN 0907-4449
PubMed: 10089343
DOI: 10.1107/S0907444998010464