Copper in PDB 2p3x: Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase

All present enzymatic activity of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase:
1.10.3.1;

The structure of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase, PDB code: 2p3x was solved by J.P.Reyes Grajeda, V.M.Virador, A.Blanco-Labra, E.Mendiola-Olaya, G.M.Smith, A.Moreno, J.R.Whitaker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.06 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.030, 120.770, 140.800, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.2

The binding sites of Copper atom in the Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase (pdb code 2p3x). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase, PDB code: 2p3x:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu340 b:56.9 occ:1.00 CU2 A:C2O340 0.0 56.9 1.0 NE2 A:HIS87 2.1 37.4 1.0 NE2 A:HIS108 2.2 39.5 1.0 NE2 A:HIS117 2.4 31.6 1.0 O1 A:C2O340 2.8 20.0 1.0 CD2 A:HIS87 3.0 39.6 1.0 CE1 A:HIS117 3.0 29.8 1.0 CE1 A:HIS87 3.1 41.1 1.0 CE1 A:HIS108 3.1 38.0 1.0 CD2 A:HIS108 3.1 40.6 1.0 CD2 A:HIS117 3.5 27.5 1.0 SG A:CYS91 3.6 43.2 1.0 CG A:HIS87 4.1 36.3 1.0 CU3 A:C2O340 4.2 49.3 1.0 ND1 A:HIS87 4.2 39.4 1.0 ND1 A:HIS117 4.2 32.6 1.0 ND1 A:HIS108 4.2 41.8 1.0 CG A:HIS108 4.3 40.8 1.0 CZ A:PHE268 4.3 29.1 1.0 NE2 A:HIS272 4.4 32.8 1.0 CG A:HIS117 4.5 28.2 1.0 CE1 A:PHE113 4.5 31.3 1.0 CE2 A:PHE268 4.6 27.8 1.0 CE1 A:HIS272 4.7 32.3 1.0 CD1 A:PHE259 4.7 48.7 1.0 CE1 A:PHE259 4.7 49.4 1.0 CB A:CYS91 4.9 36.8 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu340 b:49.3 occ:1.00 CU3 A:C2O340 0.0 49.3 1.0 NE2 A:HIS272 2.0 32.8 1.0 NE2 A:HIS239 2.0 33.0 1.0 NE2 A:HIS243 2.1 41.6 1.0 CE1 A:HIS272 2.7 32.3 1.0 O1 A:C2O340 2.8 20.0 1.0 CD2 A:HIS239 3.0 34.1 1.0 CE1 A:HIS239 3.0 35.3 1.0 CD2 A:HIS243 3.0 44.0 1.0 CE1 A:HIS243 3.1 42.2 1.0 CD2 A:HIS272 3.1 31.1 1.0 CE2 A:PHE268 3.8 27.8 1.0 ND1 A:HIS272 3.9 31.1 1.0 CG A:HIS272 4.1 30.8 1.0 ND1 A:HIS239 4.1 33.1 1.0 CG A:HIS239 4.2 32.2 1.0 CE1 A:HIS271 4.2 27.3 1.0 CU2 A:C2O340 4.2 56.9 1.0 ND1 A:HIS243 4.2 41.9 1.0 CG A:HIS243 4.2 39.4 1.0 ND1 A:HIS271 4.2 29.6 1.0 CZ A:PHE268 4.3 29.1 1.0 CD2 A:PHE268 4.6 29.3 1.0 O A:HOH422 4.8 57.9 1.0 CE1 A:PHE113 4.8 31.3 1.0 CZ A:PHE113 4.8 32.1 1.0 NE2 A:HIS117 4.8 31.6 1.0 NE2 A:HIS87 4.9 37.4 1.0

V.M.Virador, J.P.Reyes Grajeda, A.Blanco-Labra, E.Mendiola-Olaya, G.M.Smith, A.Moreno, J.R.Whitaker. Cloning, Sequencing, Purification, and Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase. J.Agric.Food Chem. V. 58 1189 2010.
ISSN: ISSN 0021-8561
PubMed: 20039636
DOI: 10.1021/JF902939Q