Copper in PDB 2i7s: Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa

The structure of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa, PDB code: 2i7s was solved by C.Gradinaru, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.35
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.135, 58.980, 66.107, 82.92, 78.11, 76.68
R / Rfree (%)	n/a / 23.9

The structure of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Rhenium	(Re)	4 atoms
Cobalt	(Co)	1 atom

The binding sites of Copper atom in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa (pdb code 2i7s). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa, PDB code: 2i7s:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:15.7 occ:1.00 ND1 A:HIS46 2.0 13.4 1.0 ND1 A:HIS117 2.1 13.8 1.0 SG A:CYS112 2.3 14.1 1.0 O A:GLY45 2.5 15.1 1.0 CE1 A:HIS46 3.0 13.5 1.0 CE1 A:HIS117 3.0 17.7 1.0 CG A:HIS46 3.0 14.1 1.0 CG A:HIS117 3.1 14.4 1.0 CA A:HIS46 3.3 12.5 1.0 CB A:CYS112 3.4 12.9 1.0 SD A:MET121 3.4 16.2 1.0 C A:GLY45 3.4 16.7 1.0 CB A:HIS46 3.5 14.0 1.0 CB A:HIS117 3.5 16.0 1.0 N A:HIS46 3.8 14.9 1.0 CB A:PHE114 3.8 14.2 1.0 CE A:MET121 4.0 17.7 1.0 NE2 A:HIS46 4.1 17.1 1.0 NE2 A:HIS117 4.1 18.6 1.0 CD2 A:HIS46 4.1 17.5 1.0 CD2 A:HIS117 4.2 15.6 1.0 C A:HIS46 4.5 12.3 1.0 N A:ASN47 4.6 13.2 1.0 CG A:PHE114 4.7 13.3 1.0 N A:PHE114 4.8 13.6 1.0 CA A:GLY45 4.8 16.6 1.0 CA A:CYS112 4.8 12.9 1.0 CA A:PHE114 4.9 14.0 1.0 CG A:MET121 5.0 17.1 1.0 O A:MET44 5.0 18.3 1.0

Copper binding site 2 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu902 b:12.0 occ:1.00 ND1 B:HIS317 2.0 10.2 1.0 ND1 B:HIS246 2.1 11.3 1.0 SG B:CYS312 2.3 10.0 1.0 O B:GLY245 2.5 11.0 1.0 CE1 B:HIS317 3.0 10.0 1.0 CE1 B:HIS246 3.0 11.4 1.0 CG B:HIS317 3.0 10.6 1.0 CG B:HIS246 3.1 10.3 1.0 SD B:MET321 3.3 11.2 1.0 CA B:HIS246 3.3 10.0 1.0 CB B:CYS312 3.4 10.1 1.0 CB B:HIS317 3.5 9.8 1.0 C B:GLY245 3.5 10.6 1.0 CB B:HIS246 3.5 11.4 1.0 CB B:PHE314 3.8 8.7 1.0 N B:HIS246 3.9 10.2 1.0 CE B:MET321 3.9 11.8 1.0 NE2 B:HIS317 4.1 12.8 1.0 NE2 B:HIS246 4.2 10.6 1.0 CD2 B:HIS317 4.2 10.7 1.0 CD2 B:HIS246 4.2 10.9 1.0 C B:HIS246 4.5 10.6 1.0 N B:ASN247 4.6 10.7 1.0 CG B:PHE314 4.6 10.0 1.0 CA B:CYS312 4.8 9.3 1.0 N B:PHE314 4.8 9.1 1.0 CA B:GLY245 4.8 13.1 1.0 CG B:MET321 4.9 11.1 1.0 O B:MET244 5.0 16.9 1.0 CA B:PHE314 5.0 8.5 1.0 CA B:HIS317 5.0 10.7 1.0

Copper binding site 3 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu903 b:17.2 occ:1.00 ND1 C:HIS517 2.0 14.1 1.0 ND1 C:HIS446 2.0 15.4 1.0 SG C:CYS512 2.3 14.5 1.0 O C:GLY445 2.5 17.4 1.0 CE1 C:HIS517 3.0 19.4 1.0 CE1 C:HIS446 3.0 16.8 1.0 CG C:HIS517 3.1 14.6 1.0 CG C:HIS446 3.1 15.8 1.0 CA C:HIS446 3.3 15.6 1.0 SD C:MET521 3.4 16.3 1.0 CB C:CYS512 3.4 13.3 1.0 CB C:HIS517 3.5 16.6 1.0 C C:GLY445 3.5 16.9 1.0 CB C:HIS446 3.5 15.7 1.0 CB C:PHE514 3.8 16.2 1.0 N C:HIS446 3.8 15.9 1.0 CE C:MET521 3.9 21.1 1.0 NE2 C:HIS517 4.1 17.7 1.0 NE2 C:HIS446 4.1 17.2 1.0 CD2 C:HIS517 4.2 16.3 1.0 CD2 C:HIS446 4.2 16.6 1.0 C C:HIS446 4.5 15.1 1.0 CG C:PHE514 4.6 15.9 1.0 N C:ASN447 4.6 16.1 1.0 CA C:CYS512 4.8 13.5 1.0 N C:PHE514 4.8 15.2 1.0 CA C:GLY445 4.9 17.6 1.0 CA C:PHE514 4.9 15.1 1.0 CG C:MET521 4.9 16.8 1.0 O C:MET444 4.9 21.6 1.0 CA C:HIS517 5.0 14.7 1.0

Copper binding site 4 out of 4 in the Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Re(Phen)(Co)3 (THR124HIS)(HIS83GLN) Azurin Cu(II) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu904 b:15.7 occ:1.00 ND1 D:HIS717 2.0 11.0 1.0 ND1 D:HIS646 2.0 14.4 1.0 SG D:CYS712 2.3 12.7 1.0 O D:GLY645 2.4 15.4 1.0 CE1 D:HIS646 3.0 15.7 1.0 CE1 D:HIS717 3.0 16.2 1.0 CG D:HIS646 3.1 17.4 1.0 CG D:HIS717 3.1 11.3 1.0 CA D:HIS646 3.3 15.5 1.0 C D:GLY645 3.4 17.8 1.0 CB D:CYS712 3.4 12.2 1.0 SD D:MET721 3.5 18.5 1.0 CB D:HIS646 3.5 15.9 1.0 CB D:HIS717 3.5 11.9 1.0 N D:HIS646 3.7 17.2 1.0 CB D:PHE714 3.8 10.7 1.0 CE D:MET721 4.1 20.3 1.0 NE2 D:HIS646 4.1 20.9 1.0 NE2 D:HIS717 4.1 12.9 1.0 CD2 D:HIS646 4.2 19.9 1.0 CD2 D:HIS717 4.2 12.4 1.0 C D:HIS646 4.5 16.5 1.0 CG D:PHE714 4.6 11.3 1.0 N D:ASN647 4.6 15.3 1.0 CA D:GLY645 4.7 17.6 1.0 CA D:CYS712 4.8 10.2 1.0 N D:PHE714 4.8 10.8 1.0 CA D:PHE714 4.9 9.5 1.0 O D:MET644 4.9 21.0 1.0 N D:GLY645 5.0 16.8 1.0

A.M.Blanco-Rodriguez, M.Busby, K.Ronayne, M.Towrie, C.Gradinaru, J.Sudhamsu, J.Sykora, M.Hof, S.Zalis, A.J.Di Bilio, B.R.Crane, H.B.Gray, A.Vlcek. Relaxation Dynamics of Pseudomonas Aeruginosa Re(I)(Co)3(Alpha-Diimine)(Hisx)+ (X = 83, 107, 109, 124, 126)Cu(II) Azurins. J.Am.Chem.Soc. V. 131 11788 2009.
ISSN: ISSN 0002-7863
PubMed: 19639996
DOI: 10.1021/JA902744S