Copper in PDB 4z0y: Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1

The structure of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1, PDB code: 4z0y was solved by C.Molitor, S.G.Mauracher, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.65 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.720, 90.560, 182.590, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.4

The binding sites of Copper atom in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 (pdb code 4z0y). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 8 binding sites of Copper where determined in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1, PDB code: 4z0y:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Copper binding site 1 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:18.9 occ:1.00 O A:HOH701 1.7 29.0 0.8 NE2 A:HIS125 1.9 15.4 1.0 NE2 A:HIS93 2.0 12.3 1.0 NE2 A:HIS116 2.1 12.6 1.0 O1 A:HIS252 2.7 24.9 0.5 CE1 A:HIS125 2.8 13.1 1.0 HE1 A:HIS125 2.9 15.8 1.0 CD2 A:HIS93 2.9 12.1 1.0 CE1 A:HIS93 3.0 13.2 1.0 CD2 A:HIS116 3.0 13.8 1.0 CE1 A:HIS116 3.1 12.1 1.0 CD2 A:HIS125 3.1 15.2 1.0 HD2 A:HIS93 3.1 14.5 1.0 HD2 A:HIS116 3.2 16.5 1.0 HE1 A:HIS93 3.2 15.8 1.0 HD2 A:HIS125 3.4 18.3 1.0 HD11 A:ILE115 3.5 16.4 1.0 SG A:CYS97 3.6 12.8 1.0 HZ A:PHE282 3.8 14.6 1.0 S A:HIS252 3.9 28.1 0.5 CU A:CU602 3.9 24.0 0.6 ND1 A:HIS125 4.0 14.1 1.0 ND1 A:HIS93 4.0 11.6 1.0 CG A:HIS93 4.0 10.9 1.0 HE1 A:PHE282 4.1 14.4 1.0 CG A:HIS125 4.1 14.7 1.0 ND1 A:HIS116 4.2 11.9 1.0 CG A:HIS116 4.2 12.5 1.0 NE2 A:HIS286 4.2 18.4 1.0 CD1 A:ILE115 4.2 13.7 1.0 HD12 A:ILE115 4.3 16.4 1.0 HE1 A:HIS286 4.3 20.2 1.0 HD1 A:PHE273 4.4 28.1 1.0 HD13 A:ILE115 4.4 16.4 1.0 HE1 A:PHE121 4.4 17.5 1.0 CE1 A:HIS286 4.5 16.9 1.0 O3 A:HIS252 4.5 27.6 0.5 O2 A:HIS252 4.5 36.3 0.5 HE2 A:PHE124 4.6 14.3 1.0 CZ A:PHE282 4.6 12.2 1.0 CD1 A:PHE273 4.7 23.4 1.0 HD1 A:HIS125 4.7 17.0 1.0 CE1 A:PHE282 4.7 12.0 1.0 HD2 A:PHE124 4.7 14.9 1.0 HD1 A:HIS93 4.8 13.9 1.0 HD1 A:PHE121 4.8 15.5 1.0 HB3 A:PHE273 4.9 20.5 1.0 HD1 A:HIS116 4.9 14.3 1.0 HE1 A:PHE273 4.9 32.0 1.0

Copper binding site 2 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:24.0 occ:0.55 O1 A:HIS252 1.9 24.9 0.5 S A:HIS252 2.0 28.1 0.5 NE2 A:HIS252 2.0 14.5 0.5 CE1 A:HIS252 2.1 14.1 0.5 NE2 A:HIS256 2.2 23.3 1.0 NE2 A:HIS286 2.2 18.4 1.0 NE2 A:HIS252 2.2 15.3 0.5 O3 A:HIS252 2.4 27.6 0.5 O A:HOH701 2.6 29.0 0.8 CE1 A:HIS252 3.0 15.4 0.5 CD2 A:HIS252 3.0 14.6 0.5 CE1 A:HIS256 3.0 21.1 1.0 CD2 A:HIS256 3.1 24.6 1.0 CD2 A:HIS286 3.1 18.3 1.0 HE1 A:PHE282 3.2 14.4 1.0 HE1 A:HIS252 3.2 18.4 0.5 CE1 A:HIS286 3.2 16.9 1.0 HE1 A:HIS256 3.2 25.3 1.0 HD2 A:HIS252 3.2 17.5 0.5 HD2 A:HIS286 3.3 21.9 1.0 HD2 A:HIS256 3.3 29.5 1.0 HE1 A:HIS286 3.4 20.2 1.0 ND1 A:HIS252 3.4 14.6 0.5 O2 A:HIS252 3.6 36.3 0.5 CD2 A:HIS252 3.6 15.4 0.5 HE1 A:PHE121 3.8 17.5 1.0 CU A:CU601 3.9 18.9 1.0 CE1 A:PHE282 4.0 12.0 1.0 ND1 A:HIS256 4.1 20.7 1.0 ND1 A:HIS252 4.1 15.0 0.5 CG A:HIS252 4.2 14.6 0.5 CG A:HIS252 4.2 14.7 0.5 CG A:HIS256 4.2 21.5 1.0 HD2 A:HIS285 4.2 17.6 1.0 HE1 A:HIS93 4.2 15.8 1.0 ND1 A:HIS286 4.3 18.8 1.0 CG A:HIS286 4.3 17.4 1.0 NE2 A:HIS125 4.4 15.4 1.0 NE2 A:HIS93 4.5 12.3 1.0 HD1 A:PHE282 4.5 17.3 1.0 HE2 A:HIS285 4.5 19.0 1.0 CE1 A:PHE121 4.7 14.6 1.0 HE1 A:PHE273 4.7 32.0 1.0 CE1 A:HIS93 4.7 13.2 1.0 CD1 A:PHE282 4.7 14.4 1.0 HD1 A:PHE273 4.7 28.1 1.0 HZ A:PHE282 4.7 14.6 1.0 HZ A:PHE121 4.7 18.3 1.0 CZ A:PHE282 4.8 12.2 1.0 HD2 A:HIS116 4.8 16.5 1.0 HD2 A:HIS125 4.8 18.3 1.0 CD2 A:HIS125 4.8 15.2 1.0 HD1 A:HIS256 4.8 24.9 1.0 CD2 A:HIS285 4.9 14.6 1.0 HD1 A:HIS252 4.9 18.0 0.5

Copper binding site 3 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu601 b:17.7 occ:1.00 NE2 B:HIS93 1.9 9.7 1.0 NE2 B:HIS125 2.0 8.7 1.0 NE2 B:HIS116 2.0 10.2 1.0 O B:HOH701 2.1 28.4 0.5 O2 B:HIS252 2.6 23.8 0.5 CE1 B:HIS125 2.8 10.3 1.0 CE1 B:HIS93 2.9 13.2 1.0 HE1 B:HIS125 2.9 12.3 1.0 CD2 B:HIS93 2.9 10.0 1.0 CD2 B:HIS116 3.0 12.7 1.0 CE1 B:HIS116 3.0 11.0 1.0 HE1 B:HIS93 3.1 15.8 1.0 CD2 B:HIS125 3.1 9.9 1.0 HD2 B:HIS93 3.2 12.0 1.0 HD2 B:HIS116 3.2 15.2 1.0 HD2 B:HIS125 3.4 11.9 1.0 HD11 B:ILE115 3.5 14.5 1.0 SG B:CYS97 3.6 11.9 1.0 S B:HIS252 3.7 25.6 0.5 CU B:CU602 3.9 23.5 0.6 HZ B:PHE282 4.0 16.7 1.0 ND1 B:HIS93 4.0 11.9 1.0 ND1 B:HIS125 4.0 9.8 1.0 CG B:HIS93 4.0 9.9 1.0 HE1 B:PHE282 4.1 16.5 1.0 NE2 B:HIS286 4.1 19.2 1.0 ND1 B:HIS116 4.1 12.4 1.0 CG B:HIS116 4.1 11.3 1.0 CG B:HIS125 4.2 9.4 1.0 HE1 B:HIS286 4.2 19.8 1.0 HD1 B:PHE273 4.2 26.7 1.0 O1 B:HIS252 4.2 32.1 0.5 CD1 B:ILE115 4.3 12.1 1.0 HE1 B:PHE121 4.3 14.8 1.0 HD12 B:ILE115 4.3 14.5 1.0 CE1 B:HIS286 4.4 16.5 1.0 O3 B:HIS252 4.4 27.2 0.5 HD13 B:ILE115 4.5 14.5 1.0 HE2 B:PHE124 4.5 12.4 1.0 CD1 B:PHE273 4.5 22.3 1.0 CZ B:PHE282 4.7 13.9 1.0 HD2 B:PHE124 4.7 12.0 1.0 CE1 B:PHE282 4.7 13.8 1.0 HD1 B:HIS125 4.7 11.7 1.0 HD1 B:HIS93 4.7 14.3 1.0 HE1 B:PHE273 4.8 31.1 1.0 HD1 B:PHE121 4.9 14.9 1.0 CE1 B:PHE273 4.9 25.9 1.0 HB3 B:PHE273 4.9 22.3 1.0 HD1 B:HIS116 4.9 14.8 1.0

Copper binding site 4 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:23.5 occ:0.64 O2 B:HIS252 1.9 23.8 0.5 NE2 B:HIS252 2.0 10.7 0.5 S B:HIS252 2.0 25.6 0.5 CE1 B:HIS252 2.0 11.0 0.5 NE2 B:HIS286 2.1 19.2 1.0 NE2 B:HIS252 2.2 10.7 0.5 O B:HOH701 2.2 28.4 0.5 NE2 B:HIS256 2.2 18.3 1.0 O3 B:HIS252 2.4 27.2 0.5 CD2 B:HIS252 3.0 11.2 0.5 CE1 B:HIS252 3.0 11.4 0.5 CE1 B:HIS256 3.0 17.5 1.0 CD2 B:HIS286 3.1 18.1 1.0 CD2 B:HIS256 3.1 19.7 1.0 HD2 B:HIS252 3.1 13.4 0.5 CE1 B:HIS286 3.1 16.5 1.0 HE1 B:PHE282 3.2 16.5 1.0 HE1 B:HIS252 3.2 13.7 0.5 HD2 B:HIS286 3.2 21.7 1.0 HE1 B:HIS256 3.2 21.0 1.0 HD2 B:HIS256 3.3 23.7 1.0 HE1 B:HIS286 3.3 19.8 1.0 ND1 B:HIS252 3.4 11.4 0.5 CD2 B:HIS252 3.6 12.1 0.5 O1 B:HIS252 3.6 32.1 0.5 CU B:CU601 3.9 17.7 1.0 HE1 B:PHE121 3.9 14.8 1.0 CE1 B:PHE282 4.0 13.8 1.0 ND1 B:HIS252 4.1 12.2 0.5 ND1 B:HIS256 4.1 16.6 1.0 CG B:HIS252 4.1 11.8 0.5 CG B:HIS252 4.1 11.8 0.5 HD2 B:HIS285 4.1 16.6 1.0 CG B:HIS256 4.1 17.4 1.0 HE1 B:HIS93 4.2 15.8 1.0 CG B:HIS286 4.2 14.4 1.0 ND1 B:HIS286 4.2 17.4 1.0 HD1 B:PHE282 4.5 15.4 1.0 HE2 B:HIS285 4.5 17.5 1.0 NE2 B:HIS93 4.5 9.7 1.0 NE2 B:HIS125 4.5 8.7 1.0 HE1 B:PHE273 4.6 31.1 1.0 HZ B:PHE121 4.6 14.8 1.0 HD1 B:PHE273 4.6 26.7 1.0 CE1 B:HIS93 4.6 13.2 1.0 CD1 B:PHE282 4.7 12.8 1.0 CE1 B:PHE121 4.7 12.3 1.0 CD2 B:HIS285 4.8 13.8 1.0 HD1 B:HIS256 4.8 20.0 1.0 HZ B:PHE282 4.8 16.7 1.0 HD1 B:HIS252 4.9 14.6 0.5 HD2 B:HIS116 4.9 15.2 1.0 CZ B:PHE282 4.9 13.9 1.0 HD2 B:HIS125 4.9 11.9 1.0 CD2 B:HIS125 4.9 9.9 1.0 NE2 B:HIS285 5.0 14.6 1.0

Copper binding site 5 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu601 b:16.3 occ:1.00 O C:HOH701 1.8 28.7 0.5 NE2 C:HIS93 1.9 10.0 1.0 NE2 C:HIS125 2.0 9.7 1.0 NE2 C:HIS116 2.0 8.6 1.0 O1 C:HIS252 2.6 23.2 0.5 CE1 C:HIS125 2.7 11.6 1.0 HE1 C:HIS125 2.8 13.9 1.0 CD2 C:HIS93 2.9 10.8 1.0 CE1 C:HIS93 2.9 11.6 1.0 CD2 C:HIS116 3.0 9.9 1.0 CE1 C:HIS116 3.0 9.0 1.0 HD2 C:HIS93 3.1 12.9 1.0 CD2 C:HIS125 3.1 11.0 1.0 HD2 C:HIS116 3.2 11.8 1.0 HE1 C:HIS93 3.2 13.9 1.0 HD11 C:ILE115 3.4 12.2 1.0 HD2 C:HIS125 3.5 13.2 1.0 SG C:CYS97 3.5 10.4 1.0 S C:HIS252 3.7 22.0 0.5 HZ C:PHE282 3.9 14.1 1.0 CU C:CU602 3.9 23.6 0.6 ND1 C:HIS125 3.9 12.8 1.0 ND1 C:HIS93 4.0 12.0 1.0 CG C:HIS93 4.0 9.8 1.0 HE1 C:PHE282 4.1 13.1 1.0 ND1 C:HIS116 4.1 9.9 1.0 CG C:HIS116 4.1 9.3 1.0 CG C:HIS125 4.2 10.7 1.0 CD1 C:ILE115 4.2 10.1 1.0 NE2 C:HIS286 4.2 19.9 1.0 O2 C:HIS252 4.2 36.9 0.5 HD12 C:ILE115 4.3 12.2 1.0 O3 C:HIS252 4.3 20.2 0.5 HD13 C:ILE115 4.3 12.2 1.0 HE1 C:PHE121 4.3 13.7 1.0 HE1 C:HIS286 4.4 20.5 1.0 HD1 C:PHE273 4.4 21.8 1.0 HE2 C:PHE124 4.5 11.8 1.0 CE1 C:HIS286 4.5 17.1 1.0 CD1 C:PHE273 4.6 18.2 1.0 CZ C:PHE282 4.6 11.7 1.0 HD1 C:HIS125 4.7 15.4 1.0 HD2 C:PHE124 4.7 11.9 1.0 CE1 C:PHE282 4.7 10.9 1.0 HD1 C:HIS93 4.8 14.3 1.0 HD1 C:PHE121 4.8 14.3 1.0 HB3 C:PHE273 4.9 14.2 1.0 HD1 C:HIS116 4.9 11.8 1.0 CE1 C:PHE273 4.9 22.2 1.0 HE1 C:PHE273 4.9 26.7 1.0

Copper binding site 6 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu602 b:23.6 occ:0.55 O1 C:HIS252 1.9 23.2 0.5 S C:HIS252 1.9 22.0 0.5 NE2 C:HIS252 2.0 11.3 0.5 CE1 C:HIS252 2.1 12.1 0.5 NE2 C:HIS252 2.2 11.4 0.5 NE2 C:HIS286 2.2 19.9 1.0 O3 C:HIS252 2.2 20.2 0.5 NE2 C:HIS256 2.3 25.9 1.0 O C:HOH701 2.6 28.7 0.5 CD2 C:HIS252 3.0 12.6 0.5 CE1 C:HIS252 3.0 11.5 0.5 CE1 C:HIS256 3.0 21.9 1.0 CD2 C:HIS286 3.0 17.2 1.0 HE1 C:PHE282 3.1 13.1 1.0 HD2 C:HIS286 3.1 20.7 1.0 HE1 C:HIS256 3.2 26.3 1.0 HD2 C:HIS252 3.2 15.1 0.5 HE1 C:HIS252 3.2 13.8 0.5 CD2 C:HIS256 3.3 22.1 1.0 CE1 C:HIS286 3.3 17.1 1.0 ND1 C:HIS252 3.5 13.1 0.5 O2 C:HIS252 3.5 36.9 0.5 HD2 C:HIS256 3.5 26.5 1.0 CD2 C:HIS252 3.6 12.3 0.5 HE1 C:HIS286 3.6 20.5 1.0 CE1 C:PHE282 3.9 10.9 1.0 HE1 C:PHE121 3.9 13.7 1.0 CU C:CU601 3.9 16.3 1.0 ND1 C:HIS256 4.0 18.5 1.0 ND1 C:HIS252 4.1 12.5 0.5 CG C:HIS252 4.1 12.5 0.5 CG C:HIS252 4.2 12.5 0.5 HE1 C:HIS93 4.2 13.9 1.0 CG C:HIS256 4.2 16.8 1.0 HD2 C:HIS285 4.2 17.6 1.0 CG C:HIS286 4.2 14.9 1.0 ND1 C:HIS286 4.3 15.9 1.0 HD1 C:PHE282 4.4 12.7 1.0 NE2 C:HIS93 4.4 10.0 1.0 NE2 C:HIS125 4.5 9.7 1.0 HE1 C:PHE273 4.5 26.7 1.0 HE2 C:HIS285 4.5 20.1 1.0 CD1 C:PHE282 4.6 10.6 1.0 CE1 C:HIS93 4.6 11.6 1.0 HD1 C:PHE273 4.6 21.8 1.0 HZ C:PHE282 4.6 14.1 1.0 CZ C:PHE282 4.7 11.7 1.0 HZ C:PHE121 4.7 15.1 1.0 HD1 C:HIS256 4.7 22.2 1.0 CE1 C:PHE121 4.8 11.4 1.0 HD1 C:HIS252 4.9 14.9 0.5 CD2 C:HIS285 4.9 14.7 1.0 HD2 C:HIS116 4.9 11.8 1.0 CD2 C:HIS125 4.9 11.0 1.0 HD2 C:HIS125 4.9 13.2 1.0

Copper binding site 7 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu601 b:14.8 occ:1.00 NE2 D:HIS93 1.9 8.5 1.0 NE2 D:HIS125 2.0 9.7 1.0 NE2 D:HIS116 2.0 8.4 1.0 O D:HOH701 2.1 28.9 0.5 O1 D:HIS252 2.6 25.4 0.5 CE1 D:HIS125 2.9 10.0 1.0 CD2 D:HIS93 2.9 10.1 1.0 CE1 D:HIS93 2.9 9.6 1.0 HE1 D:HIS125 3.0 12.0 1.0 CE1 D:HIS116 3.0 9.1 1.0 CD2 D:HIS116 3.0 10.4 1.0 HD2 D:HIS93 3.1 12.1 1.0 CD2 D:HIS125 3.1 11.2 1.0 HE1 D:HIS93 3.1 11.5 1.0 HD2 D:HIS116 3.2 12.5 1.0 HD2 D:HIS125 3.4 13.5 1.0 HD11 D:ILE115 3.4 12.5 1.0 SG D:CYS97 3.5 8.7 1.0 S D:HIS252 3.7 22.1 0.5 HZ D:PHE282 3.9 13.6 1.0 CU D:CU602 3.9 22.3 0.6 ND1 D:HIS93 4.0 10.8 1.0 CG D:HIS93 4.0 8.3 1.0 ND1 D:HIS125 4.0 10.1 1.0 HE1 D:PHE282 4.1 13.1 1.0 ND1 D:HIS116 4.1 7.7 1.0 NE2 D:HIS286 4.1 19.4 1.0 HE1 D:HIS286 4.1 19.1 1.0 CG D:HIS116 4.2 8.1 1.0 CD1 D:ILE115 4.2 10.4 1.0 CG D:HIS125 4.2 8.7 1.0 O2 D:HIS252 4.2 30.2 0.5 HD12 D:ILE115 4.3 12.5 1.0 HE1 D:PHE121 4.3 10.0 1.0 HD13 D:ILE115 4.3 12.5 1.0 HD1 D:PHE273 4.4 18.8 1.0 O3 D:HIS252 4.4 22.1 0.5 CE1 D:HIS286 4.4 15.9 1.0 HE2 D:PHE124 4.6 13.4 1.0 CZ D:PHE282 4.6 11.3 1.0 CD1 D:PHE273 4.6 15.7 1.0 HD2 D:PHE124 4.7 13.0 1.0 CE1 D:PHE282 4.7 10.9 1.0 HD1 D:HIS93 4.8 13.0 1.0 HD1 D:HIS125 4.8 12.1 1.0 HB3 D:PHE273 4.8 12.7 1.0 HD1 D:PHE121 4.8 12.7 1.0 HD1 D:HIS116 4.9 9.2 1.0 HE1 D:PHE273 4.9 21.6 1.0 CE1 D:PHE273 5.0 18.0 1.0

Copper binding site 8 out of 8 in the Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Active Aurone Synthase (Polyphenol Oxidase), Copper B : Sulfohistidine ~ 1.4 : 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu602 b:22.3 occ:0.61 O1 D:HIS252 1.9 25.4 0.5 S D:HIS252 2.0 22.1 0.5 NE2 D:HIS286 2.1 19.4 1.0 CE1 D:HIS252 2.1 10.2 0.5 NE2 D:HIS252 2.1 9.6 0.5 NE2 D:HIS252 2.1 9.6 0.5 NE2 D:HIS256 2.2 20.8 1.0 O D:HOH701 2.3 28.9 0.5 O3 D:HIS252 2.4 22.1 0.5 CE1 D:HIS286 3.0 15.9 1.0 CE1 D:HIS256 3.0 20.0 1.0 CD2 D:HIS252 3.0 10.5 0.5 CD2 D:HIS286 3.0 18.9 1.0 HE1 D:PHE282 3.0 13.1 1.0 CD2 D:HIS256 3.1 20.5 1.0 CE1 D:HIS252 3.1 9.1 0.5 HD2 D:HIS252 3.1 12.6 0.5 HE1 D:HIS256 3.2 24.0 1.0 HE1 D:HIS286 3.2 19.1 1.0 HD2 D:HIS286 3.2 22.6 1.0 HE1 D:HIS252 3.4 11.0 0.5 HD2 D:HIS256 3.4 24.6 1.0 ND1 D:HIS252 3.4 10.0 0.5 CD2 D:HIS252 3.6 10.0 0.5 O2 D:HIS252 3.6 30.2 0.5 CE1 D:PHE282 3.9 10.9 1.0 HE1 D:PHE121 3.9 10.0 1.0 CU D:CU601 3.9 14.8 1.0 ND1 D:HIS256 4.0 16.8 1.0 ND1 D:HIS286 4.1 16.1 1.0 CG D:HIS256 4.1 15.2 1.0 HD2 D:HIS285 4.1 15.1 1.0 CG D:HIS252 4.1 10.4 0.5 CG D:HIS286 4.1 16.3 1.0 CG D:HIS252 4.2 10.4 0.5 ND1 D:HIS252 4.2 10.1 0.5 HE1 D:HIS93 4.3 11.5 1.0 HD1 D:PHE282 4.4 13.8 1.0 NE2 D:HIS93 4.5 8.5 1.0 NE2 D:HIS125 4.5 9.7 1.0 CD1 D:PHE282 4.6 11.5 1.0 HE2 D:HIS285 4.6 14.9 1.0 HZ D:PHE282 4.6 13.6 1.0 HZ D:PHE121 4.7 12.9 1.0 CE1 D:HIS93 4.7 9.6 1.0 HD1 D:PHE273 4.7 18.8 1.0 CZ D:PHE282 4.7 11.3 1.0 HD1 D:HIS256 4.7 20.2 1.0 CE1 D:PHE121 4.7 8.3 1.0 HE1 D:PHE273 4.8 21.6 1.0 CD2 D:HIS285 4.8 12.6 1.0 HD1 D:HIS286 4.9 19.3 1.0 HD2 D:HIS125 4.9 13.5 1.0 CD2 D:HIS125 4.9 11.2 1.0 HD2 D:HIS116 4.9 12.5 1.0 O D:HOH959 4.9 33.0 1.0 HD1 D:HIS252 5.0 12.2 0.5

C.Molitor, S.G.Mauracher, A.Rompel. Aurone Synthase Is A Catechol Oxidase with Hydroxylase Activity and Provides Insights Into the Mechanism of Plant Polyphenol Oxidases. Proc.Natl.Acad.Sci.Usa V. 113 E1806 2016.
ISSN: ESSN 1091-6490
PubMed: 26976571
DOI: 10.1073/PNAS.1523575113