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

The binding sites of Copper atom in the structure of Visualising the Metal-Binding Versatility of Copper Trafficking Sites: ATX1 Side-to-Side (Anaerobic) (pdb code 2xmk). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2xmk 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) 53.2-1.4 Space group C121 a (A) 62.991 b (A) 41.709 c (A) 55.791 alpha (°) 90.00 beta (°) 107.49 gamma (°) 90.00 Rfactor (%) 12.94 Rfree (%) 15.274 Copper Binding Sites: Copper binding site 1 out of 4 in 2xmk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2xmk. 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: Ala1011, A: Cys1012, A: Cys1015, B: Ala2011, B: Cys2012, B: Ala2014, B: Cys2015, B: Cu1102, A: Cl1104, A: Cu2101, A: Cu2102, A: Hoh3010, A: Hoh3054, B: Hoh3050, conact list: Atom Atom Distance (A) Cu O A:Ala1011 4.90 Cu C A:Ala1011 4.60 Cu CB A:Ala1011 4.34 Cu N A:Cys1012 4.37 Cu CB A:Cys1012 3.18 Cu SG A:Cys1012 2.19 Cu CA A:Cys1012 4.34 Cu SG A:Cys1015 4.55 Cu O B:Ala2011 4.93 Cu C B:Ala2011 4.63 Cu CB B:Ala2011 4.36 Cu N B:Cys2012 4.38 Cu CB B:Cys2012 3.18 Cu SG B:Cys2012 2.19 Cu CA B:Cys2012 4.36 Cu CB B:Ala2014 4.93 Cu SG B:Cys2015 4.51 Cu CU B:Cu1102 2.65 Cu CL A:Cl1104 2.42 Cu CU A:Cu2101 2.67 Cu CU A:Cu2102 4.75 Cu O A:Hoh3010 3.95 Cu O A:Hoh3054 4.96 Cu O B:Hoh3050 4.92 interactive model: Copper binding site 2 out of 4 in 2xmk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2xmk. 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: Cys1012, A: Ala1014, A: Cys1015, B: Ala2011, B: Cys2012, B: Glu2013, B: Ala2014, B: Cys2015, B: Cu1101, A: Cl1104, A: Cu2101, A: Cu2102, conact list: Atom Atom Distance (A) Cu SG A:Cys1012 3.81 Cu CB A:Ala1014 4.66 Cu SG A:Cys1015 3.94 Cu O B:Ala2011 4.77 Cu N B:Ala2011 4.03 Cu C B:Ala2011 3.90 Cu CB B:Ala2011 3.95 Cu CA B:Ala2011 4.14 Cu O B:Cys2012 3.58 Cu N B:Cys2012 3.19 Cu CB B:Cys2012 3.30 Cu SG B:Cys2012 2.17 Cu C B:Cys2012 3.76 Cu CA B:Cys2012 3.56 Cu N B:Glu2013 4.70 Cu N B:Ala2014 4.27 Cu C B:Ala2014 4.07 Cu CB B:Ala2014 4.20 Cu CA B:Ala2014 4.38 Cu N B:Cys2015 3.13 Cu CB B:Cys2015 3.14 Cu SG B:Cys2015 2.13 Cu C B:Cys2015 4.99 Cu CA B:Cys2015 3.65 Cu CU B:Cu1101 2.65 Cu CL A:Cl1104 4.84 Cu CU A:Cu2101 3.01 Cu CU A:Cu2102 2.98 interactive model: Copper binding site 3 out of 4 in 2xmk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2xmk. 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: Ala1011, A: Cys1012, A: Glu1013, A: Ala1014, A: Cys1015, B: Cys2012, B: Ala2014, B: Cys2015, B: Cu1101, B: Cu1102, A: Cl1104, A: Cu2102, conact list: Atom Atom Distance (A) Cu O A:Ala1011 4.77 Cu N A:Ala1011 4.02 Cu C A:Ala1011 3.88 Cu CB A:Ala1011 3.90 Cu CA A:Ala1011 4.15 Cu O A:Cys1012 3.58 Cu N A:Cys1012 3.17 Cu CB A:Cys1012 3.32 Cu SG A:Cys1012 2.15 Cu C A:Cys1012 3.74 Cu CA A:Cys1012 3.55 Cu N A:Glu1013 4.67 Cu N A:Ala1014 4.28 Cu C A:Ala1014 4.13 Cu CB A:Ala1014 4.26 Cu CA A:Ala1014 4.43 Cu N A:Cys1015 3.16 Cu CB A:Cys1015 3.19 Cu SG A:Cys1015 2.15 Cu CA A:Cys1015 3.70 Cu SG B:Cys2012 3.84 Cu CB B:Ala2014 4.60 Cu SG B:Cys2015 3.89 Cu CU B:Cu1101 2.67 Cu CU B:Cu1102 3.01 Cu CL A:Cl1104 4.86 Cu CU A:Cu2102 2.95 interactive model: Copper binding site 4 out of 4 in 2xmk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2xmk. 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: Cys1012, A: Ala1014, A: Cys1015, A: His1061, B: Cys2012, B: Ala2014, B: Cys2015, B: His2061, B: Cu1101, B: Cu1102, A: Cl1103, A: Cu2101, conact list: Atom Atom Distance (A) Cu SG A:Cys1012 4.72 Cu O A:Ala1014 4.33 Cu C A:Ala1014 4.01 Cu CB A:Ala1014 4.55 Cu CA A:Ala1014 4.90 Cu N A:Cys1015 3.42 Cu CB A:Cys1015 3.23 Cu SG A:Cys1015 2.21 Cu C A:Cys1015 4.75 Cu CA A:Cys1015 3.29 Cu NE2 A:His1061 4.61 Cu CE1 A:His1061 4.79 Cu SG B:Cys2012 4.77 Cu O B:Ala2014 4.31 Cu C B:Ala2014 4.00 Cu CB B:Ala2014 4.58 Cu CA B:Ala2014 4.91 Cu N B:Cys2015 3.43 Cu CB B:Cys2015 3.23 Cu SG B:Cys2015 2.21 Cu C B:Cys2015 4.73 Cu CA B:Cys2015 3.26 Cu NE2 B:His2061 4.60 Cu CE1 B:His2061 4.86 Cu CU B:Cu1101 4.75 Cu CU B:Cu1102 2.98 Cu CL A:Cl1103 2.36 Cu CU A:Cu2101 2.95 interactive model: