Copper in the structure of Oxidized (CU2+) Peptidylglycine Alpha-Hydroxylating Monooxygenase (Phm) With Bound Azide Obtained By Co-Crystallization (pdb 3mic)

The binding sites of Copper atom in the structure of Oxidized (CU2+) Peptidylglycine Alpha-Hydroxylating Monooxygenase (Phm) With Bound Azide Obtained By Co-Crystallization (pdb code 3mic). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3mic 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) 68.454 b (A) 68.579 c (A) 81.409 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 26.4 Copper Binding Sites: Copper binding site 1 out of 2 in 3mic Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3mic. 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: Hoh421, A: Hoh459, conact list: Atom Atom Distance (A) Cu OH A:Tyr79 4.82 Cu O A:His107 4.18 Cu NE2 A:His107 4.20 Cu CB A:His107 3.20 Cu ND1 A:His107 2.08 Cu CD2 A:His107 4.15 Cu C A:His107 3.63 Cu CE1 A:His107 3.13 Cu CG A:His107 2.97 Cu CA A:His107 4.04 Cu O A:His108 4.91 Cu NE2 A:His108 4.19 Cu N A:His108 3.35 Cu CB A:His108 3.34 Cu ND1 A:His108 2.11 Cu CD2 A:His108 4.19 Cu C A:His108 4.84 Cu CE1 A:His108 3.10 Cu CG A:His108 3.05 Cu CA A:His108 3.92 Cu O A:His172 4.73 Cu NE2 A:His172 4.08 Cu CB A:His172 3.62 Cu ND1 A:His172 2.07 Cu CD2 A:His172 4.23 Cu CE1 A:His172 2.91 Cu CG A:His172 3.18 Cu CA A:His172 4.93 Cu O A:Hoh421 4.21 Cu O A:Hoh459 3.82 interactive model: Copper binding site 2 out of 2 in 3mic Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3mic. 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: Glu128, A: His242, A: His244, A: Met314, A: Na360, A: Azi1, A: Hoh465, conact list: Atom Atom Distance (A) Cu OE2 A:Glu128 4.85 Cu NE2 A:His242 2.08 Cu ND1 A:His242 4.17 Cu CD2 A:His242 3.08 Cu CE1 A:His242 3.04 Cu CG A:His242 4.22 Cu NE2 A:His244 2.14 Cu ND1 A:His244 4.24 Cu CD2 A:His244 2.99 Cu CE1 A:His244 3.20 Cu CG A:His244 4.18 Cu CB A:Met314 3.81 Cu CE A:Met314 3.78 Cu CG A:Met314 3.57 Cu SD A:Met314 2.49 Cu NA A:Na360 3.84 Cu N1 A:Azi1 1.96 Cu N3 A:Azi1 3.65 Cu N2 A:Azi1 2.70 Cu O A:Hoh465 4.43 interactive model: