Copper in the structure of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase (pdb 2p3x)

The binding sites of Copper atom in the structure of Crystal Structure of Grenache (Vitis Vinifera) Polyphenol Oxidase (pdb code 2p3x). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2p3x structure 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, brief refinement statistics is given in the table below: Resolution (A) 37.1-2.2 Space group C2221 a (A) 60.030 b (A) 120.770 c (A) 140.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 25.2 Copper Binding Sites: Copper binding site 1 out of 2 in 2p3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2p3x. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His87, A: Cys91, A: His108, A: Phe113, A: His117, A: Phe259, A: Phe268, A: His272, A: C2o340, conact list: Atom Atom Distance (A) Cu NE2 A:His87 2.07 Cu ND1 A:His87 4.17 Cu CD2 A:His87 2.96 Cu CE1 A:His87 3.12 Cu CG A:His87 4.13 Cu CB A:Cys91 4.93 Cu SG A:Cys91 3.63 Cu NE2 A:His108 2.16 Cu ND1 A:His108 4.24 Cu CD2 A:His108 3.14 Cu CE1 A:His108 3.13 Cu CG A:His108 4.28 Cu CE1 A:Phe113 4.50 Cu NE2 A:His117 2.36 Cu ND1 A:His117 4.24 Cu CD2 A:His117 3.53 Cu CE1 A:His117 3.02 Cu CG A:His117 4.50 Cu CD1 A:Phe259 4.68 Cu CE1 A:Phe259 4.71 Cu CE2 A:Phe268 4.61 Cu CZ A:Phe268 4.29 Cu NE2 A:His272 4.44 Cu CE1 A:His272 4.67 Cu O1 A:C2o340 2.82 Cu CU3 A:C2o340 4.17 Cu CU2 A:C2o340 0.00 interactive model: Copper binding site 2 out of 2 in 2p3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2p3x. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His87, A: Phe113, A: His117, A: His239, A: His243, A: Phe268, A: His271, A: His272, A: C2o340, A: Hoh422, conact list: Atom Atom Distance (A) Cu NE2 A:His87 4.91 Cu CZ A:Phe113 4.83 Cu CE1 A:Phe113 4.79 Cu NE2 A:His117 4.84 Cu NE2 A:His239 2.04 Cu ND1 A:His239 4.14 Cu CD2 A:His239 3.01 Cu CE1 A:His239 3.04 Cu CG A:His239 4.16 Cu NE2 A:His243 2.15 Cu ND1 A:His243 4.18 Cu CD2 A:His243 3.05 Cu CE1 A:His243 3.13 Cu CG A:His243 4.19 Cu CE2 A:Phe268 3.84 Cu CD2 A:Phe268 4.60 Cu CZ A:Phe268 4.29 Cu ND1 A:His271 4.21 Cu CE1 A:His271 4.17 Cu NE2 A:His272 2.02 Cu ND1 A:His272 3.90 Cu CD2 A:His272 3.15 Cu CE1 A:His272 2.73 Cu CG A:His272 4.12 Cu O1 A:C2o340 2.78 Cu CU3 A:C2o340 0.00 Cu CU2 A:C2o340 4.17 Cu O A:Hoh422 4.78 interactive model: