Copper in the structure of Paracoccus Versutus Methylamine Dehydrogenase in Complex With Amicyanin (pdb 3c75)

The binding sites of Copper atom in the structure of Paracoccus Versutus Methylamine Dehydrogenase in Complex With Amicyanin (pdb code 3c75). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3c75 structure was solved by C.CAVALIERI, N.BIERMANN, M.D.VLASIE, O.EINSLE, A.MERLI, D.FERRARI, G.L.ROSSI, M.UBBINK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.1-2.5 Space group P212121 a (A) 55.573 b (A) 131.038 c (A) 171.689 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.5 Rfree (%) 28.3 Copper Binding Sites: Copper binding site 1 out of 2 in 3c75 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3c75. 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: Met29, A: Pro53, A: His54, A: Asn55, A: Cys93, A: Pro95, A: His96, A: Met99, conact list: Atom Atom Distance (A) Cu CE A:Met29 4.83 Cu O A:Pro53 3.90 Cu C A:Pro53 4.73 Cu NE2 A:His54 4.03 Cu N A:His54 4.73 Cu CB A:His54 3.57 Cu ND1 A:His54 2.02 Cu CD2 A:His54 4.17 Cu C A:His54 4.76 Cu CE1 A:His54 2.86 Cu CG A:His54 3.12 Cu CA A:His54 3.74 Cu N A:Asn55 4.60 Cu CB A:Cys93 3.05 Cu SG A:Cys93 2.14 Cu CA A:Cys93 4.47 Cu CD A:Pro95 4.96 Cu CG A:Pro95 4.64 Cu O A:His96 4.86 Cu NE2 A:His96 4.36 Cu N A:His96 4.54 Cu CB A:His96 3.24 Cu ND1 A:His96 2.27 Cu CD2 A:His96 4.27 Cu CE1 A:His96 3.32 Cu CG A:His96 3.09 Cu CA A:His96 4.49 Cu CB A:Met99 4.72 Cu CE A:Met99 3.35 Cu CG A:Met99 4.38 Cu SD A:Met99 2.77 interactive model: Copper binding site 2 out of 2 in 3c75 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3c75. 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: B: Met29, B: Pro53, B: His54, B: Asn55, B: Cys93, B: Pro95, B: His96, B: Met99, conact list: Atom Atom Distance (A) Cu CE B:Met29 4.92 Cu O B:Pro53 3.88 Cu C B:Pro53 4.69 Cu NE2 B:His54 4.05 Cu N B:His54 4.68 Cu CB B:His54 3.53 Cu ND1 B:His54 2.02 Cu CD2 B:His54 4.17 Cu C B:His54 4.71 Cu CE1 B:His54 2.89 Cu CG B:His54 3.10 Cu CA B:His54 3.70 Cu N B:Asn55 4.56 Cu CB B:Cys93 3.05 Cu SG B:Cys93 2.17 Cu CA B:Cys93 4.47 Cu CD B:Pro95 4.91 Cu CG B:Pro95 4.58 Cu O B:His96 4.86 Cu NE2 B:His96 4.35 Cu N B:His96 4.54 Cu CB B:His96 3.27 Cu ND1 B:His96 2.24 Cu CD2 B:His96 4.28 Cu CE1 B:His96 3.30 Cu CG B:His96 3.10 Cu CA B:His96 4.50 Cu CB B:Met99 4.77 Cu CE B:Met99 3.40 Cu CG B:Met99 4.48 Cu SD B:Met99 2.91 interactive model: