Copper in the structure of Structure of Re(4,7-Dimethyl-Phen)(THR124HIS)(LYS122TRP) (HIS83GLN)Azcu(II), A Rhenium Modified Azurin Mutant (pdb 2i7o)

The binding sites of Copper atom in the structure of Structure of Re(4,7-Dimethyl-Phen)(THR124HIS)(LYS122TRP) (HIS83GLN)Azcu(II), A Rhenium Modified Azurin Mutant (pdb code 2i7o). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2i7o structure was solved by J.SUDHAMSU, B.R.CRANE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.5 Space group I222 a (A) 63.223 b (A) 69.075 c (A) 68.944 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.6 Rfree (%) 25.5 Copper Binding Sites: Copper binding site 1 out of 1 in 2i7o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2i7o. 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 2.95 Cu C A:Gly45 3.87 Cu NE2 A:His46 4.06 Cu N A:His46 4.11 Cu CB A:His46 3.58 Cu ND1 A:His46 2.03 Cu CD2 A:His46 4.20 Cu C A:His46 4.54 Cu CE1 A:His46 2.89 Cu CG A:His46 3.14 Cu CA A:His46 3.43 Cu N A:Asn47 4.51 Cu CB A:Cys112 3.23 Cu SG A:Cys112 2.18 Cu CA A:Cys112 4.65 Cu N A:Phe114 4.75 Cu CB A:Phe114 3.83 Cu CG A:Phe114 4.69 Cu CA A:Phe114 4.91 Cu NE2 A:His117 4.12 Cu CB A:His117 3.42 Cu ND1 A:His117 2.04 Cu CD2 A:His117 4.18 Cu CE1 A:His117 2.99 Cu CG A:His117 3.07 Cu CA A:His117 4.93 Cu CE A:Met121 3.82 Cu CG A:Met121 4.78 Cu SD A:Met121 3.21 interactive model: