Copper in the structure of Structure Of Azurin From Alcaligenes Denitrificans. Refinement At 1.8 Angstroms Resolution and Comparison of the Two Crystallographically Independent Molecules (pdb 2aza)

The binding sites of Copper atom in the structure of Structure Of Azurin From Alcaligenes Denitrificans. Refinement At 1.8 Angstroms Resolution and Comparison of the Two Crystallographically Independent Molecules (pdb code 2aza). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2aza structure was solved by E.N.BAKER, G.E.NORRIS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 1.8 Space group C2221 a (A) 75.000 b (A) 74.200 c (A) 99.500 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 2aza Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2aza. 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: Gly45, A: His46, A: Asn47, A: Cys112, A: Phe114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.16 Cu C A:Gly45 4.03 Cu NE2 A:His46 4.17 Cu N A:His46 4.17 Cu CB A:His46 3.46 Cu ND1 A:His46 2.08 Cu CD2 A:His46 4.20 Cu C A:His46 4.68 Cu CE1 A:His46 3.08 Cu CG A:His46 3.03 Cu CA A:His46 3.50 Cu N A:Asn47 4.52 Cu CB A:Cys112 3.16 Cu SG A:Cys112 2.12 Cu C A:Cys112 4.86 Cu CA A:Cys112 4.46 Cu N A:Phe114 4.81 Cu CB A:Phe114 3.88 Cu CG A:Phe114 4.73 Cu CA A:Phe114 4.97 Cu NE2 A:His117 4.09 Cu CB A:His117 3.33 Cu ND1 A:His117 2.01 Cu CD2 A:His117 4.09 Cu CE1 A:His117 3.01 Cu CG A:His117 2.99 Cu CA A:His117 4.88 Cu CB A:Met121 4.91 Cu CE A:Met121 3.73 Cu CG A:Met121 4.63 Cu SD A:Met121 3.12 interactive model: Copper binding site 2 out of 2 in 2aza Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2aza. 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: Gly45, B: His46, B: Asn47, B: Cys112, B: Phe114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu O B:Gly45 3.09 Cu C B:Gly45 3.99 Cu NE2 B:His46 4.18 Cu N B:His46 4.14 Cu CB B:His46 3.57 Cu ND1 B:His46 2.09 Cu CD2 B:His46 4.24 Cu C B:His46 4.55 Cu CE1 B:His46 3.02 Cu CG B:His46 3.15 Cu CA B:His46 3.41 Cu N B:Asn47 4.49 Cu CB B:Cys112 3.21 Cu SG B:Cys112 2.17 Cu C B:Cys112 4.99 Cu CA B:Cys112 4.57 Cu CB B:Phe114 3.92 Cu CG B:Phe114 4.71 Cu NE2 B:His117 4.09 Cu CB B:His117 3.41 Cu ND1 B:His117 1.99 Cu CD2 B:His117 4.13 Cu CE1 B:His117 2.98 Cu CG B:His117 3.00 Cu CA B:His117 4.93 Cu CE B:Met121 4.04 Cu CG B:Met121 4.69 Cu SD B:Met121 3.10 interactive model: