Copper in the structure of Visualising the Metal-Binding Versatility of Copper Trafficking Sites:ATX1 Side-to-Side (Aerobic) (pdb 2xmj)

The binding sites of Copper atom in the structure of Visualising the Metal-Binding Versatility of Copper Trafficking Sites:ATX1 Side-to-Side (Aerobic) (pdb code 2xmj). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2xmj structure was solved by A.BADARAU, S.J.FIRBANK, A.A.MCCARTHY, M.J.BANFIELD, C.DENNISON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.1 Space group C121 a (A) 63.460 b (A) 41.654 c (A) 55.832 alpha (°) 90.00 beta (°) 107.70 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) 14.88 Copper Binding Sites: Copper binding site 1 out of 4 in 2xmj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2xmj. 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: Ala11, A: Cys12, A: Ala14, A: Cys15, B: Ala11, B: Cys12, B: Ala14, B: Cys15, A: Cl1067, A: Cu1068, B: Cu1065, B: Cu1066, A: Hoh2016, A: Hoh2038, B: Hoh2033, conact list: Atom Atom Distance (A) Cu O A:Ala11 4.94 Cu C A:Ala11 4.65 Cu CB A:Ala11 4.36 Cu N A:Cys12 4.40 Cu CB A:Cys12 3.19 Cu SG A:Cys12 2.19 Cu CA A:Cys12 4.37 Cu CB A:Ala14 4.95 Cu SG A:Cys15 4.57 Cu O B:Ala11 4.94 Cu C B:Ala11 4.62 Cu CB B:Ala11 4.40 Cu N B:Cys12 4.39 Cu CB B:Cys12 3.20 Cu SG B:Cys12 2.19 Cu CA B:Cys12 4.39 Cu CB B:Ala14 4.91 Cu SG B:Cys15 4.53 Cu CL A:Cl1067 2.40 Cu CU A:Cu1068 2.66 Cu CU B:Cu1065 2.63 Cu CU B:Cu1066 4.73 Cu O A:Hoh2016 4.02 Cu O A:Hoh2038 4.98 Cu O B:Hoh2033 4.92 interactive model: Copper binding site 2 out of 4 in 2xmj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2xmj. 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: Ala11, A: Cys12, A: Glu13, A: Ala14, A: Cys15, B: Cys12, B: Ala14, B: Cys15, A: Cu1065, A: Cl1067, B: Cu1065, B: Cu1066, conact list: Atom Atom Distance (A) Cu O A:Ala11 4.82 Cu N A:Ala11 4.02 Cu C A:Ala11 3.95 Cu CB A:Ala11 3.94 Cu CA A:Ala11 4.18 Cu O A:Cys12 3.60 Cu N A:Cys12 3.22 Cu CB A:Cys12 3.34 Cu SG A:Cys12 2.17 Cu C A:Cys12 3.79 Cu CA A:Cys12 3.61 Cu N A:Glu13 4.72 Cu N A:Ala14 4.29 Cu C A:Ala14 4.14 Cu CB A:Ala14 4.19 Cu CA A:Ala14 4.42 Cu N A:Cys15 3.17 Cu CB A:Cys15 3.16 Cu SG A:Cys15 2.17 Cu CA A:Cys15 3.68 Cu SG B:Cys12 3.81 Cu CB B:Ala14 4.53 Cu SG B:Cys15 3.89 Cu CU A:Cu1065 2.66 Cu CL A:Cl1067 4.83 Cu CU B:Cu1065 2.96 Cu CU B:Cu1066 2.93 interactive model: Copper binding site 3 out of 4 in 2xmj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2xmj. 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: Cys12, A: Ala14, A: Cys15, B: Ala11, B: Cys12, B: Glu13, B: Ala14, B: Cys15, A: Cu1065, A: Cl1067, A: Cu1068, B: Cu1066, conact list: Atom Atom Distance (A) Cu SG A:Cys12 3.79 Cu CB A:Ala14 4.54 Cu SG A:Cys15 3.94 Cu O B:Ala11 4.81 Cu N B:Ala11 4.02 Cu C B:Ala11 3.91 Cu CB B:Ala11 3.96 Cu CA B:Ala11 4.14 Cu O B:Cys12 3.57 Cu N B:Cys12 3.22 Cu CB B:Cys12 3.35 Cu SG B:Cys12 2.16 Cu C B:Cys12 3.79 Cu CA B:Cys12 3.63 Cu N B:Glu13 4.74 Cu N B:Ala14 4.28 Cu C B:Ala14 4.08 Cu CB B:Ala14 4.19 Cu CA B:Ala14 4.39 Cu N B:Cys15 3.14 Cu CB B:Cys15 3.16 Cu SG B:Cys15 2.16 Cu C B:Cys15 4.99 Cu CA B:Cys15 3.66 Cu CU A:Cu1065 2.63 Cu CL A:Cl1067 4.81 Cu CU A:Cu1068 2.96 Cu CU B:Cu1066 2.95 interactive model: Copper binding site 4 out of 4 in 2xmj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2xmj. 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: Cys12, A: Ala14, A: Cys15, A: His61, B: Cys12, B: Ala14, B: Cys15, B: His61, A: Cu1065, A: Cl1066, A: Cu1068, B: Cu1065, conact list: Atom Atom Distance (A) Cu SG A:Cys12 4.72 Cu O A:Ala14 4.29 Cu C A:Ala14 3.99 Cu CB A:Ala14 4.47 Cu CA A:Ala14 4.85 Cu N A:Cys15 3.39 Cu CB A:Cys15 3.22 Cu SG A:Cys15 2.23 Cu C A:Cys15 4.73 Cu CA A:Cys15 3.25 Cu NE2 A:His61 4.64 Cu CE1 A:His61 4.80 Cu SG B:Cys12 4.75 Cu O B:Ala14 4.25 Cu C B:Ala14 3.97 Cu CB B:Ala14 4.53 Cu CA B:Ala14 4.87 Cu N B:Cys15 3.41 Cu CB B:Cys15 3.17 Cu SG B:Cys15 2.22 Cu C B:Cys15 4.72 Cu CA B:Cys15 3.24 Cu NE2 B:His61 4.72 Cu CE1 B:His61 4.79 Cu CU A:Cu1065 4.73 Cu CL A:Cl1066 2.36 Cu CU A:Cu1068 2.93 Cu CU B:Cu1065 2.95 interactive model: