Copper in PDB 3jt2: Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin

The structure of Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jt2 was solved by Y.G.Gao, H.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.270, 49.880, 105.140, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 28.8

The binding sites of Copper atom in the Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin (pdb code 3jt2). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin, PDB code: 3jt2:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Cu(II) N47S/M121L Variant of 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 Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu129 b:30.7 occ:1.00 ND1 A:HIS117 2.0 31.4 1.0 ND1 A:HIS46 2.0 31.9 1.0 SG A:CYS112 2.0 34.5 1.0 O A:GLY45 2.3 33.7 1.0 CE1 A:HIS46 2.7 28.7 1.0 CE1 A:HIS117 2.9 33.0 1.0 CG A:HIS117 3.0 33.6 1.0 CG A:HIS46 3.2 35.9 1.0 CB A:CYS112 3.3 24.6 1.0 CA A:HIS46 3.4 27.8 1.0 C A:GLY45 3.4 30.7 1.0 CB A:HIS117 3.5 38.7 1.0 CB A:HIS46 3.7 35.1 1.0 CB A:PHE114 3.8 30.7 1.0 N A:HIS46 3.8 28.0 1.0 NE2 A:HIS46 3.9 30.2 1.0 NE2 A:HIS117 4.0 30.6 1.0 CD2 A:HIS117 4.1 29.5 1.0 CD1 A:LEU121 4.2 29.0 1.0 CD2 A:HIS46 4.2 31.3 1.0 C A:HIS46 4.6 32.2 1.0 CD2 A:LEU121 4.6 37.3 1.0 N A:SER47 4.6 33.6 1.0 CG A:PHE114 4.6 33.7 1.0 CA A:CYS112 4.7 30.6 1.0 CA A:GLY45 4.7 31.0 1.0 O A:MET44 4.7 34.3 1.0 N A:PHE114 4.7 32.7 1.0 CG A:LEU121 4.8 38.3 1.0 CA A:PHE114 4.9 31.8 1.0 N A:GLY45 4.9 33.3 1.0 C A:MET44 4.9 36.7 1.0 CA A:HIS117 5.0 39.0 1.0

Copper binding site 2 out of 2 in the Cu(II) N47S/M121L Variant of 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 Cu(II) N47S/M121L Variant of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu129 b:28.1 occ:1.00 ND1 B:HIS117 2.0 32.4 1.0 ND1 B:HIS46 2.0 31.8 1.0 SG B:CYS112 2.0 36.2 1.0 O B:GLY45 2.3 35.0 1.0 CE1 B:HIS46 2.7 29.8 1.0 CE1 B:HIS117 2.9 32.7 1.0 CG B:HIS117 3.0 32.9 1.0 CG B:HIS46 3.2 36.7 1.0 CB B:CYS112 3.3 24.3 1.0 CA B:HIS46 3.3 28.4 1.0 C B:GLY45 3.4 31.1 1.0 CB B:HIS117 3.5 38.3 1.0 CB B:PHE114 3.7 30.6 1.0 CB B:HIS46 3.7 34.3 1.0 N B:HIS46 3.8 29.1 1.0 CD1 B:LEU121 3.8 29.4 1.0 NE2 B:HIS46 3.9 30.2 1.0 NE2 B:HIS117 4.0 30.9 1.0 CD2 B:HIS117 4.1 28.2 1.0 CD2 B:HIS46 4.2 32.2 1.0 CD2 B:LEU121 4.3 37.7 1.0 C B:HIS46 4.5 33.0 1.0 CG B:LEU121 4.6 37.7 1.0 N B:SER47 4.6 33.0 1.0 CG B:PHE114 4.6 33.6 1.0 N B:PHE114 4.7 32.2 1.0 CA B:CYS112 4.7 29.4 1.0 CA B:GLY45 4.7 31.7 1.0 CA B:PHE114 4.8 32.4 1.0 N B:GLY45 4.9 33.1 1.0 CA B:HIS117 5.0 39.5 1.0

N.M.Marshall, D.K.Garner, T.D.Wilson, Y.G.Gao, H.Robinson, M.J.Nilges, Y.Lu. Rationally Tuning the Reduction Potential of A Single Cupredoxin Beyond the Natural Range. Nature V. 462 113 2009.
ISSN: ISSN 0028-0836
PubMed: 19890331
DOI: 10.1038/NATURE08551