Copper in the structure of Azurin Mutant With Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected At 16 Degrees Celsius (pdb 1a4a)

The binding sites of Copper atom in the structure of Azurin Mutant With Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected At 16 Degrees Celsius (pdb code 1a4a). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1a4a structure was solved by A.MESSERSCHMIDT, L.PRADE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.9 Space group C2221 a (A) 75.820 b (A) 74.420 c (A) 98.460 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.9 Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 1a4a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1a4a. 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: His121, A: Hoh174, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.93 Cu C A:Gly45 4.77 Cu NE2 A:His46 4.09 Cu N A:His46 4.75 Cu CB A:His46 3.50 Cu ND1 A:His46 2.01 Cu CD2 A:His46 4.22 Cu C A:His46 4.82 Cu CE1 A:His46 2.94 Cu CG A:His46 3.08 Cu HE2 A:His46 4.95 Cu CA A:His46 3.77 Cu N A:Asn47 4.77 Cu H A:Asn47 4.04 Cu CB A:Cys112 3.04 Cu SG A:Cys112 2.16 Cu C A:Cys112 4.94 Cu CA A:Cys112 4.47 Cu CB A:Phe114 4.43 Cu H A:Phe114 4.44 Cu NE2 A:His117 4.21 Cu CB A:His117 3.42 Cu ND1 A:His117 2.14 Cu CD2 A:His117 4.29 Cu CE1 A:His117 3.10 Cu CG A:His117 3.12 Cu CA A:His117 4.88 Cu NE2 A:His121 4.27 Cu CB A:His121 3.86 Cu ND1 A:His121 2.28 Cu CD2 A:His121 4.47 Cu CE1 A:His121 3.07 Cu CG A:His121 3.40 Cu H2 A:Hoh174 4.60 interactive model: Copper binding site 2 out of 2 in 1a4a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1a4a. 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: His121, B: Hoh158, conact list: Atom Atom Distance (A) Cu O B:Gly45 3.84 Cu C B:Gly45 4.71 Cu NE2 B:His46 4.07 Cu N B:His46 4.73 Cu CB B:His46 3.58 Cu ND1 B:His46 2.02 Cu CD2 B:His46 4.22 Cu C B:His46 4.86 Cu CE1 B:His46 2.92 Cu CG B:His46 3.09 Cu HE2 B:His46 4.90 Cu CA B:His46 3.81 Cu N B:Asn47 4.80 Cu H B:Asn47 4.05 Cu CB B:Cys112 3.10 Cu SG B:Cys112 2.16 Cu CA B:Cys112 4.52 Cu CB B:Phe114 4.54 Cu H B:Phe114 4.60 Cu NE2 B:His117 4.12 Cu CB B:His117 3.37 Cu ND1 B:His117 2.02 Cu CD2 B:His117 4.21 Cu CE1 B:His117 3.00 Cu CG B:His117 3.03 Cu HE2 B:His117 4.99 Cu CA B:His117 4.80 Cu NE2 B:His121 4.16 Cu CB B:His121 3.81 Cu ND1 B:His121 2.16 Cu CD2 B:His121 4.38 Cu CE1 B:His121 2.95 Cu CG B:His121 3.31 Cu HE2 B:His121 4.97 Cu H1 B:Hoh158 4.70 interactive model: