Copper in PDB 4z13: Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2, PDB code: 4z13 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)	47.42 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.880, 109.750, 94.760, 90.00, 96.30, 90.00
R / Rfree (%)	15.7 / 19.6

The structure of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 also contains other interesting chemical elements:

Tungsten	(W)	19 atoms
Tellurium	(Te)	3 atoms

The binding sites of Copper atom in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 (pdb code 4z13). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2, PDB code: 4z13:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu601 b:30.7 occ:1.00 O A:O603 1.7 36.8 1.0 NE2 A:HIS96 2.0 25.4 1.0 NE2 A:HIS128 2.1 18.9 1.0 O A:O604 2.2 42.3 1.0 NE2 A:HIS119 2.3 24.0 1.0 CE1 A:HIS96 2.9 26.1 1.0 CE1 A:HIS128 3.0 24.3 1.0 HE1 A:HIS96 3.0 31.3 1.0 CD2 A:HIS96 3.0 23.0 1.0 HE1 A:HIS128 3.1 29.1 1.0 CD2 A:HIS128 3.2 21.4 1.0 CD2 A:HIS119 3.2 24.7 1.0 CE1 A:HIS119 3.2 21.9 1.0 HD2 A:HIS96 3.3 27.6 1.0 HD2 A:HIS119 3.4 29.7 1.0 HD2 A:HIS128 3.4 25.7 1.0 CU A:CU602 3.4 29.3 1.0 SG A:CYS100 3.8 27.4 1.0 HE1 A:PHE285 3.8 28.0 1.0 HE1 A:HIS289 3.9 31.3 1.0 NE2 A:HIS289 3.9 27.1 1.0 HD11 A:ILE118 4.0 31.5 1.0 HZ A:PHE285 4.0 29.1 1.0 ND1 A:HIS96 4.0 29.7 1.0 CE1 A:HIS289 4.1 26.1 1.0 CG A:HIS96 4.1 27.2 1.0 ND1 A:HIS128 4.1 20.5 1.0 HD1 A:PHE276 4.2 42.5 1.0 HE1 A:PHE124 4.2 30.5 1.0 CG A:HIS128 4.3 19.7 1.0 CD1 A:PHE276 4.3 35.4 1.0 ND1 A:HIS119 4.4 25.2 1.0 HE1 A:PHE276 4.4 44.6 1.0 CG A:HIS119 4.4 25.6 1.0 CE1 A:PHE276 4.5 37.2 1.0 CE1 A:PHE285 4.5 23.3 1.0 CZ A:PHE285 4.6 24.3 1.0 NE2 A:HIS255 4.8 24.4 1.0 HD1 A:HIS96 4.8 35.6 1.0 HE2 A:PHE127 4.8 31.9 1.0 CD1 A:ILE118 4.8 26.2 1.0 CD2 A:HIS289 4.9 24.6 1.0 HD1 A:HIS128 4.9 24.6 1.0 HE1 A:HIS255 4.9 29.7 1.0 CE1 A:PHE124 4.9 25.4 1.0 HD12 A:ILE118 5.0 31.5 1.0

Copper binding site 2 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu602 b:29.3 occ:1.00 NE2 A:HIS255 2.0 24.4 1.0 O A:O604 2.0 42.3 1.0 NE2 A:HIS259 2.1 26.7 1.0 O A:O603 2.1 36.8 1.0 NE2 A:HIS289 2.2 27.1 1.0 CE1 A:HIS255 3.0 24.7 1.0 CE1 A:HIS289 3.0 26.1 1.0 CD2 A:HIS255 3.0 20.0 1.0 CD2 A:HIS259 3.0 27.0 1.0 HE1 A:HIS289 3.1 31.3 1.0 CE1 A:HIS259 3.1 28.9 1.0 HD2 A:HIS259 3.2 32.4 1.0 HE1 A:HIS255 3.2 29.7 1.0 HD2 A:HIS255 3.2 24.0 1.0 CD2 A:HIS289 3.3 24.6 1.0 HE1 A:HIS259 3.3 34.6 1.0 HE1 A:PHE285 3.3 28.0 1.0 CU A:CU601 3.4 30.7 1.0 HD2 A:HIS289 3.5 29.5 1.0 HE1 A:PHE276 3.8 44.6 1.0 HE1 A:PHE124 3.9 30.5 1.0 ND1 A:HIS255 4.1 23.5 1.0 CG A:HIS255 4.1 20.6 1.0 CE1 A:PHE285 4.2 23.3 1.0 ND1 A:HIS289 4.2 24.0 1.0 CG A:HIS259 4.2 26.9 1.0 ND1 A:HIS259 4.2 28.0 1.0 HD2 A:HIS288 4.3 28.6 1.0 HE1 A:HIS96 4.3 31.3 1.0 CG A:HIS289 4.3 21.3 1.0 HD1 A:PHE276 4.4 42.5 1.0 NE2 A:HIS96 4.5 25.4 1.0 NE2 A:HIS128 4.5 18.9 1.0 CE1 A:PHE276 4.5 37.2 1.0 HZ A:PHE124 4.6 28.3 1.0 HD1 A:PHE285 4.6 29.1 1.0 CE1 A:HIS96 4.7 26.1 1.0 CE1 A:PHE124 4.7 25.4 1.0 HE2 A:HIS288 4.7 26.8 1.0 HD2 A:HIS119 4.8 29.7 1.0 CD1 A:PHE276 4.8 35.4 1.0 CD1 A:PHE285 4.8 24.3 1.0 HD1 A:HIS255 4.9 28.2 1.0 HD1 A:HIS289 4.9 28.8 1.0 CD2 A:HIS288 4.9 23.9 1.0 CD2 A:HIS128 5.0 21.4 1.0 HD1 A:HIS259 5.0 33.6 1.0 NE2 A:HIS119 5.0 24.0 1.0 HD12 A:ILE459 5.0 37.4 1.0

Copper binding site 3 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu601 b:30.5 occ:1.00 O B:O604 1.8 30.1 1.0 NE2 B:HIS96 1.9 25.3 1.0 O B:O603 2.1 34.4 1.0 NE2 B:HIS128 2.1 19.8 1.0 NE2 B:HIS119 2.2 25.0 1.0 CE1 B:HIS96 2.8 27.3 1.0 CE1 B:HIS128 2.9 16.2 1.0 HE1 B:HIS96 3.0 32.7 1.0 CD2 B:HIS96 3.0 24.1 1.0 HE1 B:HIS128 3.0 19.5 1.0 CE1 B:HIS119 3.2 24.7 1.0 CD2 B:HIS119 3.2 21.0 1.0 HD2 B:HIS96 3.2 28.9 1.0 CD2 B:HIS128 3.3 18.2 1.0 HD2 B:HIS119 3.4 25.2 1.0 CU B:CU602 3.4 28.8 1.0 HD2 B:HIS128 3.5 21.8 1.0 HE1 B:PHE285 3.8 32.9 1.0 SG B:CYS100 3.8 26.4 1.0 NE2 B:HIS289 3.8 21.1 1.0 HD11 B:ILE118 3.9 31.2 1.0 HZ B:PHE285 3.9 33.3 1.0 ND1 B:HIS96 3.9 24.9 1.0 HE1 B:HIS289 4.0 22.9 1.0 CG B:HIS96 4.1 23.9 1.0 HD1 B:PHE276 4.1 38.2 1.0 HE1 B:PHE124 4.1 21.6 1.0 ND1 B:HIS128 4.1 18.6 1.0 CE1 B:HIS289 4.1 19.1 1.0 HE1 B:PHE276 4.3 37.2 1.0 CD1 B:PHE276 4.3 31.8 1.0 CG B:HIS128 4.3 17.4 1.0 ND1 B:HIS119 4.3 27.8 1.0 CG B:HIS119 4.4 25.8 1.0 CE1 B:PHE276 4.4 31.0 1.0 CE1 B:PHE285 4.5 27.4 1.0 CZ B:PHE285 4.6 27.8 1.0 CD1 B:ILE118 4.7 26.0 1.0 HD1 B:HIS96 4.7 29.9 1.0 NE2 B:HIS255 4.7 21.2 1.0 CD2 B:HIS289 4.8 20.4 1.0 HD12 B:ILE118 4.8 31.2 1.0 HD1 B:HIS128 4.8 22.3 1.0 CE1 B:PHE124 4.9 18.0 1.0 HD13 B:ILE118 4.9 31.2 1.0 HD1 B:PHE124 4.9 24.7 1.0 HE2 B:PHE127 4.9 24.9 1.0 HE1 B:HIS255 4.9 25.9 1.0

Copper binding site 4 out of 4 in the Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Recombinantly Expressed Latent Aurone Synthase (Polyphenol Oxidase) Co-Crystallized with Hexatungstotellurate(VI) and Soaked in H2O2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu602 b:28.8 occ:1.00 O B:O603 1.8 34.4 1.0 NE2 B:HIS255 2.0 21.2 1.0 NE2 B:HIS259 2.1 28.6 1.0 O B:O604 2.1 30.1 1.0 NE2 B:HIS289 2.2 21.1 1.0 CD2 B:HIS255 2.9 19.1 1.0 CE1 B:HIS255 3.0 21.6 1.0 CE1 B:HIS289 3.0 19.1 1.0 CE1 B:HIS259 3.1 30.5 1.0 CD2 B:HIS259 3.1 25.3 1.0 HD2 B:HIS255 3.1 23.0 1.0 HE1 B:HIS289 3.1 22.9 1.0 HE1 B:HIS255 3.2 25.9 1.0 CD2 B:HIS289 3.2 20.4 1.0 HD2 B:HIS259 3.3 30.4 1.0 HE1 B:HIS259 3.3 36.6 1.0 HE1 B:PHE285 3.3 32.9 1.0 CU B:CU601 3.4 30.5 1.0 HD2 B:HIS289 3.5 24.5 1.0 HE1 B:PHE124 3.8 21.6 1.0 HE1 B:PHE276 3.8 37.2 1.0 ND1 B:HIS255 4.1 21.5 1.0 CG B:HIS255 4.1 19.9 1.0 CE1 B:PHE285 4.1 27.4 1.0 ND1 B:HIS259 4.2 31.0 1.0 ND1 B:HIS289 4.2 19.8 1.0 CG B:HIS259 4.2 26.9 1.0 HE1 B:HIS96 4.2 32.7 1.0 CG B:HIS289 4.3 19.3 1.0 HD2 B:HIS288 4.4 25.4 1.0 NE2 B:HIS128 4.4 19.8 1.0 NE2 B:HIS96 4.4 25.3 1.0 HD1 B:PHE276 4.4 38.2 1.0 HZ B:PHE124 4.5 23.5 1.0 CE1 B:PHE276 4.5 31.0 1.0 HD1 B:PHE285 4.6 27.9 1.0 CE1 B:PHE124 4.6 18.0 1.0 CE1 B:HIS96 4.6 27.3 1.0 HD2 B:HIS119 4.7 25.2 1.0 HE2 B:HIS288 4.7 26.0 1.0 CD1 B:PHE285 4.8 23.2 1.0 CD1 B:PHE276 4.9 31.8 1.0 HD1 B:HIS255 4.9 25.8 1.0 NE2 B:HIS119 4.9 25.0 1.0 HD12 B:ILE459 4.9 49.5 1.0 CD2 B:HIS128 4.9 18.2 1.0 HD1 B:HIS289 4.9 23.8 1.0 HD1 B:HIS259 4.9 37.1 1.0 HZ B:PHE285 5.0 33.3 1.0 CE1 B:HIS128 5.0 16.2 1.0 CZ B:PHE124 5.0 19.6 1.0

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