Copper in PDB 7tnc: M13F/G116F Pseudomonas Aeruginosa Azurin

The structure of M13F/G116F Pseudomonas Aeruginosa Azurin, PDB code: 7tnc was solved by Y.Liu, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.00 / 1.47
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	49.274, 73.901, 77.616, 90, 90, 90
R / Rfree (%)	20.4 / 23.7

The structure of M13F/G116F Pseudomonas Aeruginosa Azurin also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Copper atom in the M13F/G116F Pseudomonas Aeruginosa Azurin (pdb code 7tnc). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the M13F/G116F Pseudomonas Aeruginosa Azurin, PDB code: 7tnc:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the M13F/G116F 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 M13F/G116F Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:11.2 occ:0.96 ND1 A:HIS46 2.0 15.4 1.0 ND1 A:HIS117 2.0 8.2 1.0 SG A:CYS112 2.3 12.0 1.0 CE1 A:HIS46 2.9 10.4 1.0 O A:GLY45 3.0 11.7 1.0 CE1 A:HIS117 3.0 10.6 1.0 CG A:HIS117 3.1 14.1 1.0 CG A:HIS46 3.1 8.9 1.0 SD A:MET121 3.1 10.5 1.0 CB A:CYS112 3.3 14.2 1.0 CB A:HIS117 3.4 10.1 1.0 CA A:HIS46 3.4 10.7 1.0 CB A:HIS46 3.5 11.0 1.0 CE A:MET121 3.8 8.5 1.0 CB A:PHE114 3.8 13.9 1.0 C A:GLY45 3.9 12.0 1.0 NE2 A:HIS46 4.1 9.0 1.0 NE2 A:HIS117 4.1 11.6 1.0 N A:HIS46 4.1 9.6 1.0 CD2 A:HIS117 4.2 12.1 1.0 CD2 A:HIS46 4.2 10.8 1.0 CG A:MET121 4.5 11.1 1.0 CG A:PHE114 4.6 16.7 1.0 C A:HIS46 4.6 11.5 1.0 N A:ASN47 4.7 11.0 1.0 CA A:CYS112 4.7 10.9 1.0 N A:PHE114 4.8 12.5 1.0 CA A:PHE114 4.9 15.1 1.0 CB A:MET121 4.9 10.2 1.0 CA A:HIS117 4.9 11.2 1.0

Copper binding site 2 out of 3 in the M13F/G116F 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 M13F/G116F Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:23.5 occ:0.45 CU A:CU203 0.0 23.5 0.5 CU A:CU203 2.0 22.4 0.6 O A:HOH332 2.5 25.1 1.0 O A:HOH426 2.8 29.2 1.0 O A:ALA1 3.7 21.5 1.0 N A:ALA1 4.0 27.7 1.0 OG A:SER25 4.2 21.9 1.0 SG A:CYS3 4.3 21.9 1.0 O A:SER25 4.5 21.8 1.0 O A:HOH319 4.6 24.2 1.0 C A:ALA1 4.7 28.9 1.0 CA A:ALA1 4.8 26.3 1.0 O A:HOH367 4.9 31.6 1.0

Copper binding site 3 out of 3 in the M13F/G116F 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 M13F/G116F Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:22.4 occ:0.55 CU A:CU203 0.0 22.4 0.6 N A:ALA1 2.0 27.7 1.0 CU A:CU203 2.0 23.5 0.5 O A:ALA1 2.2 21.5 1.0 O A:HOH332 2.4 25.1 1.0 C A:ALA1 2.8 28.9 1.0 CA A:ALA1 2.9 26.3 1.0 CB A:ALA1 3.5 25.5 1.0 N A:GLU2 4.2 23.1 1.0 OG A:SER25 4.4 21.9 1.0 O A:HOH399 4.4 23.6 1.0 SG A:CYS3 4.4 21.9 1.0 O A:HOH426 4.7 29.2 1.0 CA A:GLU2 4.9 25.8 1.0 O A:HOH354 5.0 25.0 1.0

S.Y.New, Y.Lu. Structural Basis For the Effects of Phenylalanine on Tuning Reduction Potentials of the Type 1 Copper in Azurin To Be Published.