Copper in the structure of Crystal Structure of An Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin From Alcaligenes Faecalis (Form 3) (pdb 2h3x)

The binding sites of Copper atom in the structure of Crystal Structure of An Electron Transfer Complex Between Aromatic Amine Dehydrogenase and Azurin From Alcaligenes Faecalis (Form 3) (pdb code 2h3x). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2h3x structure was solved by N.SUKUMAR, Z.CHEN, D.LEYS, N.S.SCRUTTON, D.FERRATI, A.MERLI, G.L.ROSSI, H.D.BELLAMY, A.CHISTOSERDOV, V.L.DAVIDSON, F.S.MATHEWS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.5 Space group P212121 a (A) 64.953 b (A) 94.762 c (A) 211.482 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 23 Copper Binding Sites: Copper binding site 1 out of 2 in 2h3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2h3x. 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: Gly45, C: His46, C: Asn47, C: Cys112, C: Phe114, C: His117, C: Met121, conact list: Atom Atom Distance (A) Cu O C:Gly45 3.18 Cu C C:Gly45 4.04 Cu NE2 C:His46 4.29 Cu N C:His46 4.17 Cu CB C:His46 3.52 Cu ND1 C:His46 2.21 Cu CD2 C:His46 4.33 Cu C C:His46 4.51 Cu CE1 C:His46 3.16 Cu CG C:His46 3.21 Cu CA C:His46 3.39 Cu N C:Asn47 4.50 Cu CB C:Cys112 3.32 Cu SG C:Cys112 2.31 Cu CA C:Cys112 4.74 Cu O C:Phe114 5.00 Cu N C:Phe114 4.99 Cu CB C:Phe114 3.84 Cu CG C:Phe114 4.57 Cu CA C:Phe114 4.98 Cu NE2 C:His117 4.30 Cu CB C:His117 3.38 Cu ND1 C:His117 2.20 Cu CD2 C:His117 4.30 Cu CE1 C:His117 3.20 Cu CG C:His117 3.14 Cu CA C:His117 4.91 Cu CB C:Met121 4.98 Cu CE C:Met121 3.77 Cu CG C:Met121 4.67 Cu SD C:Met121 3.14 interactive model: Copper binding site 2 out of 2 in 2h3x Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2h3x. 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: F: Gly45, F: His46, F: Asn47, F: Cys112, F: Phe114, F: His117, F: Met121, conact list: Atom Atom Distance (A) Cu O F:Gly45 3.20 Cu C F:Gly45 4.03 Cu NE2 F:His46 4.25 Cu N F:His46 4.11 Cu CB F:His46 3.41 Cu ND1 F:His46 2.15 Cu CD2 F:His46 4.27 Cu C F:His46 4.42 Cu CE1 F:His46 3.14 Cu CG F:His46 3.12 Cu CA F:His46 3.31 Cu N F:Asn47 4.40 Cu CB F:Cys112 3.27 Cu SG F:Cys112 2.28 Cu CA F:Cys112 4.69 Cu CB F:Phe114 3.90 Cu CG F:Phe114 4.63 Cu NE2 F:His117 4.44 Cu CB F:His117 3.47 Cu ND1 F:His117 2.33 Cu CD2 F:His117 4.43 Cu CE1 F:His117 3.33 Cu CG F:His117 3.27 Cu CB F:Met121 4.96 Cu CE F:Met121 3.71 Cu CG F:Met121 4.67 Cu SD F:Met121 3.12 interactive model: