Copper in the structure of Crystal Structure Analysis Of The Oxidized Form Of the M314I Mutant of Peptidylglycine Alpha-Hydroxylating Monooxygenase (pdb 1yi9)

The binding sites of Copper atom in the structure of Crystal Structure Analysis Of The Oxidized Form Of the M314I Mutant of Peptidylglycine Alpha-Hydroxylating Monooxygenase (pdb code 1yi9). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1yi9 structure was solved by X.SIEBERT, B.A.EIPPER, R.E.MAINS, S.T.PRIGGE, N.J.BLACKBURN, L.M.AMZEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 48.2-1.7 Space group P212121 a (A) 59.479 b (A) 66.458 c (A) 70.049 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 23.3 Copper Binding Sites: Copper binding site 1 out of 4 in 1yi9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1yi9. 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, conact list: Atom Atom Distance (A) Cu CZ A:Tyr79 4.85 Cu OH A:Tyr79 4.32 Cu O A:His107 4.39 Cu CB A:His107 3.92 Cu C A:His107 4.09 Cu CA A:His107 4.62 Cu O A:His108 4.96 Cu NE2 A:His108 4.13 Cu N A:His108 3.93 Cu CB A:His108 2.57 Cu ND1 A:His108 2.00 Cu CD2 A:His108 3.87 Cu C A:His108 4.80 Cu CE1 A:His108 3.23 Cu CG A:His108 2.60 Cu CA A:His108 3.82 Cu NE2 A:His172 4.04 Cu CB A:His172 3.35 Cu ND1 A:His172 2.01 Cu CD2 A:His172 4.08 Cu CE1 A:His172 2.95 Cu CG A:His172 2.99 Cu CA A:His172 4.78 interactive model: Copper binding site 2 out of 4 in 1yi9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1yi9. 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: Glu278, A: His279, A: Hoh715, A: Hoh778, A: Hoh832, A: Hoh833, conact list: Atom Atom Distance (A) Cu OE2 A:Glu278 3.73 Cu CD A:Glu278 4.51 Cu CG A:Glu278 4.37 Cu NE2 A:His279 2.01 Cu ND1 A:His279 4.00 Cu CD2 A:His279 3.16 Cu CE1 A:His279 2.80 Cu CG A:His279 4.19 Cu O A:Hoh715 2.21 Cu O A:Hoh778 2.43 Cu O A:Hoh832 2.24 Cu O A:Hoh833 2.08 interactive model: Copper binding site 3 out of 4 in 1yi9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1yi9. 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: Ile214, A: His245, A: Glu313, A: Hoh838, A: Hoh841, conact list: Atom Atom Distance (A) Cu CD1 A:Ile214 4.09 Cu NE2 A:His245 3.94 Cu N A:His245 4.60 Cu CB A:His245 2.89 Cu ND1 A:His245 2.01 Cu CD2 A:His245 3.79 Cu C A:His245 4.99 Cu CE1 A:His245 3.05 Cu CG A:His245 2.64 Cu CA A:His245 3.79 Cu OE1 A:Glu313 4.88 Cu CB A:Glu313 4.38 Cu OE2 A:Glu313 4.87 Cu CD A:Glu313 4.27 Cu CG A:Glu313 3.34 Cu O A:Hoh838 2.79 Cu O A:Hoh841 3.80 interactive model: Copper binding site 4 out of 4 in 1yi9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1yi9. 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: Ile314, A: Hoh711, A: Hoh791, A: Hoh842, conact list: Atom Atom Distance (A) Cu NE2 A:His242 2.05 Cu ND1 A:His242 4.17 Cu CD2 A:His242 3.02 Cu CE1 A:His242 3.07 Cu CG A:His242 4.18 Cu NE2 A:His244 1.97 Cu ND1 A:His244 3.71 Cu CD2 A:His244 3.21 Cu CE1 A:His244 2.48 Cu CG A:His244 4.07 Cu CD1 A:Ile314 3.85 Cu O A:Hoh711 3.11 Cu O A:Hoh791 4.75 Cu O A:Hoh842 1.92 interactive model: