Copper in the structure of Oxidized (CU2+) Peptidylglycine Alpha-Hydroxylating Monooxygenase (Phm) With Bound Nitrite (pdb 3mib)

The binding sites of Copper atom in the structure of Oxidized (CU2+) Peptidylglycine Alpha-Hydroxylating Monooxygenase (Phm) With Bound Nitrite (pdb code 3mib). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3mib structure was solved by E.E.CHUFAN, B.A.EIPPER, R.E.MAINS, L.M.AMZEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 52.0-2.4 Space group P212121 a (A) 68.612 b (A) 68.617 c (A) 80.254 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 24.4 Copper Binding Sites: Copper binding site 1 out of 2 in 3mib Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3mib. 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: Tyr79, A: His107, A: His108, A: His172, A: Hoh384, A: Hoh409, conact list: Atom Atom Distance (A) Cu OH A:Tyr79 4.77 Cu O A:His107 4.23 Cu NE2 A:His107 3.97 Cu CB A:His107 3.29 Cu ND1 A:His107 2.00 Cu CD2 A:His107 3.98 Cu C A:His107 3.70 Cu CE1 A:His107 2.92 Cu CG A:His107 2.92 Cu CA A:His107 4.12 Cu O A:His108 5.00 Cu NE2 A:His108 4.08 Cu N A:His108 3.39 Cu CB A:His108 3.31 Cu ND1 A:His108 2.00 Cu CD2 A:His108 4.10 Cu C A:His108 4.88 Cu CE1 A:His108 2.99 Cu CG A:His108 2.98 Cu CA A:His108 3.93 Cu O A:His172 4.88 Cu NE2 A:His172 4.00 Cu CB A:His172 3.65 Cu ND1 A:His172 2.00 Cu CD2 A:His172 4.18 Cu CE1 A:His172 2.81 Cu CG A:His172 3.15 Cu O A:Hoh384 4.30 Cu O A:Hoh409 4.40 interactive model: Copper binding site 2 out of 2 in 3mib Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3mib. 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: His242, A: His244, A: Met314, A: No21, conact list: Atom Atom Distance (A) Cu NE2 A:His242 2.00 Cu ND1 A:His242 4.10 Cu CD2 A:His242 2.98 Cu CE1 A:His242 3.00 Cu CG A:His242 4.13 Cu NE2 A:His244 2.01 Cu ND1 A:His244 4.12 Cu CD2 A:His244 2.90 Cu CE1 A:His244 3.07 Cu CG A:His244 4.08 Cu CB A:Met314 3.92 Cu CE A:Met314 3.70 Cu CG A:Met314 3.64 Cu SD A:Met314 2.52 Cu O1 A:No21 1.91 Cu O2 A:No21 2.67 Cu N A:No21 2.71 interactive model: