Copper in PDB 4wkx: Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site

The structure of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site, PDB code: 4wkx was solved by S.Tian, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.37 / 1.94
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	47.774, 47.774, 241.641, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.5

The binding sites of Copper atom in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site (pdb code 4wkx). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 5 binding sites of Copper where determined in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site, PDB code: 4wkx:
Jump to Copper binding site number: 1; 2; 3; 4; 5;

Copper binding site 1 out of 5 in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:25.2 occ:0.40 CU A:CU201 0.0 25.2 0.4 HN1 A:TRS202 1.5 21.7 1.0 CU A:CU201 2.0 18.9 0.6 HN3 A:TRS202 2.1 21.7 1.0 N A:TRS202 2.2 18.1 1.0 O3 A:TRS202 2.5 18.5 1.0 NE2 A:HIS83 2.6 18.3 1.0 HN2 A:TRS202 3.0 21.7 1.0 HO3 A:TRS202 3.1 22.2 1.0 C3 A:TRS202 3.2 13.4 1.0 C A:TRS202 3.2 15.4 1.0 CD2 A:HIS83 3.2 13.8 1.0 H32 A:TRS202 3.3 16.1 1.0 H11 A:TRS202 3.8 23.0 1.0 CE1 A:HIS83 3.8 14.4 1.0 C1 A:TRS202 4.0 19.1 1.0 H31 A:TRS202 4.2 16.1 1.0 H21 A:TRS202 4.3 19.9 1.0 HO1 A:TRS202 4.3 21.1 1.0 C2 A:TRS202 4.4 16.5 1.0 CG A:HIS83 4.5 12.8 1.0 O1 A:TRS202 4.6 17.6 1.0 ND1 A:HIS83 4.7 15.7 1.0 O A:HOH305 4.8 19.2 1.0 H22 A:TRS202 4.9 19.9 1.0 H12 A:TRS202 5.0 23.0 1.0

Copper binding site 2 out of 5 in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:18.9 occ:0.59 CU A:CU201 0.0 18.9 0.6 HN3 A:TRS202 1.0 21.7 1.0 NE2 A:HIS83 1.8 18.3 1.0 N A:TRS202 2.0 18.1 1.0 CU A:CU201 2.0 25.2 0.4 HN1 A:TRS202 2.2 21.7 1.0 HN2 A:TRS202 2.4 21.7 1.0 CE1 A:HIS83 2.6 14.4 1.0 H32 A:TRS202 2.8 16.1 1.0 H21 A:TRS202 2.9 19.9 1.0 C A:TRS202 3.0 15.4 1.0 CD2 A:HIS83 3.0 13.8 1.0 C3 A:TRS202 3.1 13.4 1.0 O3 A:TRS202 3.3 18.5 1.0 C2 A:TRS202 3.4 16.5 1.0 ND1 A:HIS83 3.8 15.7 1.0 H22 A:TRS202 3.9 19.9 1.0 HO3 A:TRS202 3.9 22.2 1.0 CG A:HIS83 4.0 12.8 1.0 HO1 A:TRS202 4.0 21.1 1.0 H31 A:TRS202 4.2 16.1 1.0 C1 A:TRS202 4.3 19.1 1.0 CD1 A:LEU73 4.4 16.9 1.0 H11 A:TRS202 4.5 23.0 1.0 O1 A:TRS202 4.6 17.6 1.0 O2 A:TRS202 4.6 21.1 1.0 HO2 A:TRS202 4.8 25.3 1.0

Copper binding site 3 out of 5 in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:23.0 occ:1.00 ND1 A:HIS117 2.1 12.0 1.0 OE1 A:GLU46 2.1 22.6 1.0 SG A:CYS112 2.3 13.8 1.0 ND1 A:HIS121 2.4 19.4 1.0 CD A:GLU46 2.9 20.9 1.0 CG A:HIS117 2.9 12.1 1.0 CB A:CYS112 3.0 10.5 1.0 CB A:HIS117 3.1 13.2 1.0 OE2 A:GLU46 3.1 19.4 1.0 CE1 A:HIS121 3.1 19.8 1.0 CE1 A:HIS117 3.2 13.8 1.0 O A:GLY45 3.4 11.9 1.0 CG A:HIS121 3.6 18.1 1.0 O A:HOH345 3.8 20.6 1.0 CB A:HIS121 4.0 16.3 1.0 CA A:GLU46 4.1 12.2 1.0 CD2 A:HIS117 4.1 15.4 1.0 CG A:GLU46 4.1 15.4 1.0 CB A:PHE114 4.2 10.2 1.0 NE2 A:HIS117 4.2 13.4 1.0 NE2 A:HIS121 4.4 24.2 1.0 CB A:GLU46 4.4 14.5 1.0 C A:GLY45 4.5 14.3 1.0 CA A:CYS112 4.5 10.3 1.0 CD2 A:HIS121 4.6 22.4 1.0 CA A:HIS117 4.6 12.9 1.0 N A:GLU46 4.7 12.6 1.0 N A:ASN47 4.9 11.6 1.0 C A:CYS112 4.9 10.8 1.0 N A:PHE114 5.0 10.4 1.0

Copper binding site 4 out of 5 in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:40.0 occ:1.00 HN1 B:TRS202 1.3 28.6 1.0 HO3 B:TRS202 2.1 25.8 1.0 NE2 B:HIS83 2.2 22.9 1.0 N B:TRS202 2.2 23.8 1.0 HN3 B:TRS202 2.4 28.6 1.0 O3 B:TRS202 2.6 21.5 1.0 CD2 B:HIS83 2.9 17.1 1.0 HN2 B:TRS202 3.0 28.6 1.0 C B:TRS202 3.1 21.3 1.0 C3 B:TRS202 3.2 19.4 1.0 H11 B:TRS202 3.2 27.7 1.0 H32 B:TRS202 3.3 23.3 1.0 CE1 B:HIS83 3.4 22.5 1.0 C1 B:TRS202 3.7 23.1 1.0 CG B:HIS83 4.2 17.1 1.0 H31 B:TRS202 4.2 23.3 1.0 ND1 B:HIS83 4.4 19.1 1.0 C2 B:TRS202 4.4 22.4 1.0 O1 B:TRS202 4.4 23.2 1.0 H21 B:TRS202 4.5 26.9 1.0 H12 B:TRS202 4.6 27.7 1.0 H22 B:TRS202 4.8 26.9 1.0

Copper binding site 5 out of 5 in the Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu203 b:20.8 occ:1.00 ND1 B:HIS121 2.1 18.9 1.0 ND1 B:HIS117 2.2 18.2 1.0 SG B:CYS112 2.3 18.0 1.0 OE1 B:GLU46 2.5 21.6 0.3 OE2 B:GLU46 2.6 22.2 0.3 CD B:GLU46 2.8 21.5 0.3 CG B:HIS117 3.0 15.9 1.0 CB B:CYS112 3.0 16.8 1.0 CE1 B:HIS121 3.1 22.8 1.0 CB B:HIS117 3.1 14.7 1.0 CG B:HIS121 3.1 19.6 1.0 CE1 B:HIS117 3.3 19.9 1.0 CB B:HIS121 3.5 20.4 1.0 O B:GLY45 3.6 20.1 1.0 OE1 B:GLU46 3.8 27.1 0.7 CG B:GLU46 4.1 21.5 0.3 CG B:GLU46 4.1 21.8 0.7 CA B:GLU46 4.2 18.5 0.7 CD2 B:HIS117 4.2 17.5 1.0 NE2 B:HIS121 4.2 20.3 1.0 CB B:GLU46 4.2 21.4 0.7 CD2 B:HIS121 4.3 18.9 1.0 CA B:GLU46 4.3 18.5 0.3 NE2 B:HIS117 4.3 15.6 1.0 CB B:PHE114 4.3 16.8 1.0 CD B:GLU46 4.4 22.9 0.7 CA B:CYS112 4.5 14.5 1.0 CA B:HIS117 4.5 19.9 1.0 CB B:GLU46 4.6 21.0 0.3 CE B:MET13 4.7 18.5 1.0 C B:GLY45 4.7 20.4 1.0 N B:GLU46 5.0 18.1 0.7 C B:CYS112 5.0 14.7 1.0 CA B:HIS121 5.0 23.4 1.0 N B:GLU46 5.0 18.2 0.3

S.Tian, Y.Lu. Reversible S-Nitrosylation in An Engineered Mutant of Pseudomonas Aeruginosa Azurin with Red Copper Site To Be Published.