Copper in the structure of The Crystal Structure of Human S100A12 - Copper Complex (pdb 1odb)

The binding sites of Copper atom in the structure of The Crystal Structure of Human S100A12 - Copper Complex (pdb code 1odb). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1odb structure was solved by O.V.MOROZ, A.A.ANTSON, S.J.GRIST, N.J.MAITLAND, G.G.DODSON, K.S.WILSON, E.M.LUKANIDIN, I.B.BRONSTEIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.2 Space group P21212 a (A) 70.569 b (A) 118.957 c (A) 90.185 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.6 Rfree (%) 22.6 Copper Binding Sites: Copper binding site 1 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1odb. 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: His15, B: His85, B: Thr88, B: His89, A: Hoh2025, conact list: Atom Atom Distance (A) Cu NE2 A:His15 2.07 Cu ND1 A:His15 4.10 Cu CD2 A:His15 3.07 Cu CE1 A:His15 2.99 Cu CG A:His15 4.17 Cu NE2 B:His85 2.34 Cu ND1 B:His85 4.48 Cu CD2 B:His85 3.08 Cu CE1 B:His85 3.47 Cu CG B:His85 4.33 Cu OG1 B:Thr88 4.18 Cu NE2 B:His89 1.97 Cu ND1 B:His89 4.06 Cu CD2 B:His89 2.94 Cu CE1 B:His89 2.96 Cu CG B:His89 4.08 Cu O A:Hoh2025 3.88 interactive model: Copper binding site 2 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1odb. 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: His85, A: Thr88, A: His89, B: Phe14, B: His15, B: Asp25, conact list: Atom Atom Distance (A) Cu NE2 A:His85 2.02 Cu ND1 A:His85 4.10 Cu CD2 A:His85 2.97 Cu CE1 A:His85 3.01 Cu CG A:His85 4.11 Cu OG1 A:Thr88 4.94 Cu NE2 A:His89 2.15 Cu ND1 A:His89 4.24 Cu CD2 A:His89 3.15 Cu CE1 A:His89 3.11 Cu CG A:His89 4.29 Cu CE2 B:Phe14 4.49 Cu CD2 B:Phe14 4.77 Cu NE2 B:His15 2.11 Cu ND1 B:His15 4.20 Cu CD2 B:His15 3.12 Cu CE1 B:His15 3.07 Cu CG B:His15 4.25 Cu CB B:Asp25 4.33 Cu OD2 B:Asp25 2.97 Cu OD1 B:Asp25 2.05 Cu CG B:Asp25 2.90 Cu CA B:Asp25 4.86 interactive model: Copper binding site 3 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1odb. 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: C: Phe14, C: His15, C: Asp25, D: His85, D: Thr88, D: His89, conact list: Atom Atom Distance (A) Cu CE2 C:Phe14 4.51 Cu CD2 C:Phe14 4.77 Cu NE2 C:His15 2.05 Cu ND1 C:His15 4.14 Cu CD2 C:His15 3.06 Cu CE1 C:His15 3.02 Cu CG C:His15 4.19 Cu CB C:Asp25 4.28 Cu OD2 C:Asp25 2.78 Cu OD1 C:Asp25 2.06 Cu CG C:Asp25 2.82 Cu CA C:Asp25 4.82 Cu NE2 D:His85 2.09 Cu ND1 D:His85 4.17 Cu CD2 D:His85 2.96 Cu CE1 D:His85 3.13 Cu CG D:His85 4.13 Cu OG1 D:Thr88 4.90 Cu NE2 D:His89 2.27 Cu ND1 D:His89 4.40 Cu CD2 D:His89 3.16 Cu CE1 D:His89 3.32 Cu CG D:His89 4.36 interactive model: Copper binding site 4 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1odb. 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: C: His85, C: His89, D: Phe14, D: His15, D: Phe24, D: Asp25, D: Hoh2023, conact list: Atom Atom Distance (A) Cu NE2 C:His85 2.00 Cu ND1 C:His85 4.09 Cu CD2 C:His85 2.96 Cu CE1 C:His85 3.00 Cu CG C:His85 4.10 Cu NE2 C:His89 2.18 Cu ND1 C:His89 4.27 Cu CD2 C:His89 3.18 Cu CE1 C:His89 3.15 Cu CG C:His89 4.32 Cu CE2 D:Phe14 4.52 Cu CD2 D:Phe14 4.76 Cu NE2 D:His15 1.98 Cu ND1 D:His15 4.07 Cu CD2 D:His15 2.98 Cu CE1 D:His15 2.96 Cu CG D:His15 4.11 Cu CE2 D:Phe24 4.88 Cu CB D:Asp25 4.30 Cu OD2 D:Asp25 2.99 Cu OD1 D:Asp25 2.06 Cu CG D:Asp25 2.89 Cu CA D:Asp25 4.76 Cu O D:Hoh2023 4.60 interactive model: Copper binding site 5 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 1odb. 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: E: Phe14, E: His15, E: Asp25, F: His85, F: Thr88, F: His89, conact list: Atom Atom Distance (A) Cu CE2 E:Phe14 4.63 Cu CD2 E:Phe14 4.86 Cu NE2 E:His15 2.07 Cu ND1 E:His15 4.14 Cu CD2 E:His15 3.08 Cu CE1 E:His15 3.02 Cu CG E:His15 4.20 Cu CB E:Asp25 4.21 Cu OD2 E:Asp25 2.73 Cu OD1 E:Asp25 2.02 Cu CG E:Asp25 2.76 Cu CA E:Asp25 4.78 Cu NE2 F:His85 1.96 Cu ND1 F:His85 4.03 Cu CD2 F:His85 2.91 Cu CE1 F:His85 2.96 Cu CG F:His85 4.04 Cu OG1 F:Thr88 4.91 Cu NE2 F:His89 2.22 Cu ND1 F:His89 4.29 Cu CD2 F:His89 3.24 Cu CE1 F:His89 3.15 Cu CG F:His89 4.36 interactive model: Copper binding site 6 out of 6 in 1odb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 1odb. 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: E: His85, E: His89, F: Phe14, F: His15, F: Asp25, F: Hoh2009, conact list: Atom Atom Distance (A) Cu NE2 E:His85 1.96 Cu ND1 E:His85 4.03 Cu CD2 E:His85 2.84 Cu CE1 E:His85 2.99 Cu CG E:His85 3.99 Cu NE2 E:His89 2.20 Cu ND1 E:His89 4.32 Cu CD2 E:His89 3.11 Cu CE1 E:His89 3.24 Cu CG E:His89 4.29 Cu CE2 F:Phe14 4.46 Cu CD2 F:Phe14 4.79 Cu NE2 F:His15 2.06 Cu ND1 F:His15 4.00 Cu CD2 F:His15 3.21 Cu CE1 F:His15 2.81 Cu CG F:His15 4.22 Cu O F:Asp25 4.53 Cu CB F:Asp25 4.43 Cu OD2 F:Asp25 3.30 Cu OD1 F:Asp25 2.08 Cu CG F:Asp25 3.07 Cu CA F:Asp25 4.79 Cu O F:Hoh2009 4.20 interactive model: