Copper in the structure of Pseudoazurin With Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5 (pdb 2ux6)

The binding sites of Copper atom in the structure of Pseudoazurin With Engineered Amicyanin Ligand Loop, Oxidized Form, pH 7.5 (pdb code 2ux6). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2ux6 structure was solved by M.VELARDE, R.HUBER, S.YANAGISAWA, C.DENNISON, A.MESSERSCHMIDT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.3 Space group H32 a (A) 105.627 b (A) 105.626 c (A) 57.925 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.3 Rfree (%) 22.6 Copper Binding Sites: Copper binding site 1 out of 1 in 2ux6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2ux6. 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: Met16, A: Gly39, A: His40, A: Asn41, A: Cys78, A: Pro80, A: His81, A: Met84, conact list: Atom Atom Distance (A) Cu CB A:Met16 4.83 Cu SD A:Met16 4.98 Cu O A:Gly39 4.41 Cu C A:Gly39 4.91 Cu NE2 A:His40 4.16 Cu N A:His40 4.75 Cu CB A:His40 3.52 Cu ND1 A:His40 2.09 Cu CD2 A:His40 4.24 Cu C A:His40 4.89 Cu CE1 A:His40 3.02 Cu CG A:His40 3.13 Cu CA A:His40 3.85 Cu N A:Asn41 4.75 Cu CB A:Cys78 3.17 Cu SG A:Cys78 2.22 Cu CA A:Cys78 4.60 Cu CG A:Pro80 4.57 Cu NE2 A:His81 4.14 Cu N A:His81 4.71 Cu CB A:His81 3.52 Cu ND1 A:His81 2.09 Cu CD2 A:His81 4.23 Cu CE1 A:His81 2.99 Cu CG A:His81 3.14 Cu CA A:His81 4.73 Cu CB A:Met84 4.11 Cu CE A:Met84 3.24 Cu CG A:Met84 3.73 Cu SD A:Met84 2.39 interactive model: