Copper in the structure of Crystal Structure of Mavicyanin From Cucurbita Pepo Medullosa (Zucchini) (pdb 1ws7)

The binding sites of Copper atom in the structure of Crystal Structure of Mavicyanin From Cucurbita Pepo Medullosa (Zucchini) (pdb code 1ws7). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1ws7 structure was solved by Y.XIE, T.INOUE, Y.MIYAMOTO, H.MATSUMURA, K.KATAOKA, K.YAMAGUCHI, M.NOJINI, S.SUZUKI, Y.KAI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.6-1.9 Space group P61 a (A) 62.660 b (A) 62.660 c (A) 244.860 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.8 Rfree (%) 23 Copper Binding Sites: Copper binding site 1 out of 4 in 1ws7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1ws7. 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: Thr15, A: Phe44, A: His45, A: Asn46, A: Cys86, A: Ile88, A: His91, A: Gln96, conact list: Atom Atom Distance (A) Cu OG1 A:Thr15 3.72 Cu O A:Phe44 3.78 Cu C A:Phe44 4.40 Cu NE2 A:His45 4.16 Cu N A:His45 4.39 Cu CB A:His45 3.20 Cu ND1 A:His45 2.05 Cu CD2 A:His45 4.12 Cu C A:His45 4.72 Cu CE1 A:His45 3.10 Cu CG A:His45 2.96 Cu CA A:His45 3.59 Cu N A:Asn46 4.67 Cu CB A:Cys86 3.24 Cu SG A:Cys86 2.23 Cu CA A:Cys86 4.64 Cu N A:Ile88 4.92 Cu CB A:Ile88 4.12 Cu CG1 A:Ile88 3.96 Cu NE2 A:His91 4.13 Cu CB A:His91 3.36 Cu ND1 A:His91 2.06 Cu CD2 A:His91 4.16 Cu CE1 A:His91 3.03 Cu CG A:His91 3.04 Cu CA A:His91 4.85 Cu NE2 A:Gln96 3.49 Cu OE1 A:Gln96 2.56 Cu CD A:Gln96 3.30 Cu CG A:Gln96 4.62 interactive model: Copper binding site 2 out of 4 in 1ws7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1ws7. 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: Thr15, B: Phe44, B: His45, B: Asn46, B: Cys86, B: Ile88, B: His91, B: Gln96, conact list: Atom Atom Distance (A) Cu CG2 B:Thr15 4.47 Cu O B:Phe44 3.78 Cu C B:Phe44 4.58 Cu NE2 B:His45 4.17 Cu N B:His45 4.56 Cu CB B:His45 3.38 Cu ND1 B:His45 2.08 Cu CD2 B:His45 4.20 Cu C B:His45 4.66 Cu CE1 B:His45 3.06 Cu CG B:His45 3.07 Cu CA B:His45 3.61 Cu N B:Asn46 4.55 Cu CB B:Cys86 3.18 Cu SG B:Cys86 2.19 Cu CA B:Cys86 4.60 Cu N B:Ile88 4.88 Cu CB B:Ile88 3.89 Cu CG2 B:Ile88 4.71 Cu CG1 B:Ile88 3.91 Cu CA B:Ile88 4.98 Cu NE2 B:His91 4.18 Cu CB B:His91 3.36 Cu ND1 B:His91 2.08 Cu CD2 B:His91 4.19 Cu CE1 B:His91 3.07 Cu CG B:His91 3.06 Cu CA B:His91 4.86 Cu NE2 B:Gln96 3.40 Cu OE1 B:Gln96 2.36 Cu CB B:Gln96 4.97 Cu CD B:Gln96 3.16 Cu CG B:Gln96 4.50 interactive model: Copper binding site 3 out of 4 in 1ws7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1ws7. 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: C: Thr15, C: Phe44, C: His45, C: Asn46, C: Cys86, C: Ile88, C: His91, C: Gln96, conact list: Atom Atom Distance (A) Cu CG2 C:Thr15 4.50 Cu O C:Phe44 3.76 Cu C C:Phe44 4.58 Cu NE2 C:His45 4.19 Cu N C:His45 4.59 Cu CB C:His45 3.38 Cu ND1 C:His45 2.09 Cu CD2 C:His45 4.21 Cu C C:His45 4.69 Cu CE1 C:His45 3.08 Cu CG C:His45 3.08 Cu CA C:His45 3.64 Cu N C:Asn46 4.58 Cu CB C:Cys86 3.18 Cu SG C:Cys86 2.19 Cu C C:Cys86 5.00 Cu CA C:Cys86 4.60 Cu N C:Ile88 4.89 Cu CB C:Ile88 3.86 Cu CG2 C:Ile88 4.69 Cu CG1 C:Ile88 3.87 Cu CA C:Ile88 4.98 Cu NE2 C:His91 4.10 Cu CB C:His91 3.34 Cu ND1 C:His91 2.01 Cu CD2 C:His91 4.13 Cu CE1 C:His91 2.99 Cu CG C:His91 3.01 Cu CA C:His91 4.84 Cu NE2 C:Gln96 3.33 Cu OE1 C:Gln96 2.37 Cu CB C:Gln96 4.95 Cu CD C:Gln96 3.13 Cu CG C:Gln96 4.49 interactive model: Copper binding site 4 out of 4 in 1ws7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1ws7. 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: D: Thr15, D: Phe44, D: His45, D: Asn46, D: Cys86, D: Ile88, D: His91, D: Gln96, conact list: Atom Atom Distance (A) Cu OG1 D:Thr15 3.67 Cu O D:Phe44 3.81 Cu C D:Phe44 4.41 Cu NE2 D:His45 4.13 Cu N D:His45 4.38 Cu CB D:His45 3.15 Cu ND1 D:His45 2.02 Cu CD2 D:His45 4.08 Cu C D:His45 4.72 Cu CE1 D:His45 3.08 Cu CG D:His45 2.91 Cu CA D:His45 3.58 Cu N D:Asn46 4.68 Cu CB D:Cys86 3.22 Cu SG D:Cys86 2.22 Cu CA D:Cys86 4.62 Cu N D:Ile88 4.94 Cu CB D:Ile88 4.18 Cu CG1 D:Ile88 4.02 Cu NE2 D:His91 4.23 Cu CB D:His91 3.40 Cu ND1 D:His91 2.16 Cu CD2 D:His91 4.24 Cu CE1 D:His91 3.13 Cu CG D:His91 3.11 Cu CA D:His91 4.88 Cu NE2 D:Gln96 3.45 Cu OE1 D:Gln96 2.47 Cu CD D:Gln96 3.23 Cu CG D:Gln96 4.56 interactive model: