Copper in the structure of Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form (pdb 1x9r)

The binding sites of Copper atom in the structure of Umecyanin From Horse Raddish- Crystal Structure of the Oxidised Form (pdb code 1x9r). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1x9r structure was solved by M.KOCH, M.VELARDE, M.D.HARRISON, S.ECHT, M.FISCHER, A.MESSERSCHMIDT, C.DENNISON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.7-1.9 Space group P65 a (A) 92.690 b (A) 92.690 c (A) 47.310 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.3 Rfree (%) 26.8 Copper Binding Sites: Copper binding site 1 out of 2 in 1x9r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1x9r. 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: Arg13, A: Met43, A: His44, A: Asp45, A: Cys85, A: Val87, A: His90, A: Gln95, conact list: Atom Atom Distance (A) Cu N A:Arg13 4.85 Cu O A:Met43 3.79 Cu C A:Met43 4.61 Cu NE2 A:His44 3.95 Cu N A:His44 4.60 Cu CB A:His44 3.37 Cu ND1 A:His44 1.88 Cu CD2 A:His44 4.04 Cu C A:His44 4.70 Cu CE1 A:His44 2.81 Cu CG A:His44 2.95 Cu CA A:His44 3.63 Cu N A:Asp45 4.64 Cu CB A:Cys85 3.29 Cu SG A:Cys85 2.23 Cu CA A:Cys85 4.66 Cu O A:Val87 4.46 Cu N A:Val87 4.88 Cu CB A:Val87 4.10 Cu CG2 A:Val87 4.65 Cu CG1 A:Val87 4.87 Cu CA A:Val87 4.94 Cu NE2 A:His90 4.15 Cu CB A:His90 3.32 Cu ND1 A:His90 2.06 Cu CD2 A:His90 4.17 Cu CE1 A:His90 3.04 Cu CG A:His90 3.03 Cu CA A:His90 4.85 Cu NE2 A:Gln95 3.23 Cu OE1 A:Gln95 2.22 Cu CB A:Gln95 4.79 Cu CD A:Gln95 2.99 Cu CG A:Gln95 4.33 interactive model: Copper binding site 2 out of 2 in 1x9r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1x9r. 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: Arg13, B: Met43, B: His44, B: Asp45, B: Cys85, B: Val87, B: His90, B: Gln95, conact list: Atom Atom Distance (A) Cu N B:Arg13 4.98 Cu O B:Met43 3.87 Cu C B:Met43 4.68 Cu NE2 B:His44 4.08 Cu N B:His44 4.65 Cu CB B:His44 3.40 Cu ND1 B:His44 2.00 Cu CD2 B:His44 4.14 Cu C B:His44 4.71 Cu CE1 B:His44 2.94 Cu CG B:His44 3.04 Cu CA B:His44 3.66 Cu N B:Asp45 4.61 Cu CB B:Cys85 3.22 Cu SG B:Cys85 2.19 Cu CA B:Cys85 4.60 Cu O B:Val87 4.42 Cu N B:Val87 4.84 Cu CB B:Val87 4.19 Cu CG2 B:Val87 4.83 Cu CG1 B:Val87 4.97 Cu CA B:Val87 4.93 Cu NE2 B:His90 4.12 Cu CB B:His90 3.27 Cu ND1 B:His90 2.02 Cu CD2 B:His90 4.12 Cu CE1 B:His90 3.03 Cu CG B:His90 2.97 Cu CA B:His90 4.79 Cu NE2 B:Gln95 3.24 Cu OE1 B:Gln95 2.24 Cu CB B:Gln95 4.77 Cu CD B:Gln95 3.01 Cu CG B:Gln95 4.36 interactive model: