Cobalt in the structure of Crystal Structure Solution and Refinement of the Semisynthetic Cobalt Substituted Bovine Erythrocyte Enzyme Superoxide Dismutase At 2.0 Angstroms Resolution (pdb 1cob)

The binding sites of Cobalt atom in the structure of Crystal Structure Solution and Refinement of the Semisynthetic Cobalt Substituted Bovine Erythrocyte Enzyme Superoxide Dismutase At 2.0 Angstroms Resolution (pdb code 1cob). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1cob structure was solved by K.DJINOVIC, A.CODA, L.ANTOLINI, G.PELOSI, A.DESIDERI, M.FALCONI, G.ROTILIO, M.BOLOGNESI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.0 Space group P212121 a (A) 50.990 b (A) 147.630 c (A) 47.530 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1cob Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1cob. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His61, A: His69, A: Gly70, A: His78, A: Asp81, A: Lys134, A: Hoh194, conact list: Atom Atom Distance (A) Co NE2 A:His61 4.20 Co CB A:His61 3.51 Co ND1 A:His61 2.11 Co CD2 A:His61 4.28 Co CE1 A:His61 3.05 Co CG A:His61 3.17 Co NE2 A:His69 4.04 Co N A:His69 4.95 Co CB A:His69 3.71 Co ND1 A:His69 2.01 Co CD2 A:His69 4.24 Co C A:His69 4.89 Co CE1 A:His69 2.81 Co CG A:His69 3.21 Co CA A:His69 3.95 Co N A:Gly70 4.74 Co NE2 A:His78 4.12 Co N A:His78 4.58 Co CB A:His78 3.36 Co ND1 A:His78 2.02 Co CD2 A:His78 4.15 Co CE1 A:His78 3.00 Co CG A:His78 3.02 Co CA A:His78 4.59 Co N A:Asp81 4.85 Co CB A:Asp81 4.15 Co OD2 A:Asp81 2.76 Co OD1 A:Asp81 1.99 Co CG A:Asp81 2.70 Co CA A:Asp81 4.69 Co O A:Lys134 3.86 Co C A:Lys134 4.92 Co O A:Hoh194 4.90 interactive model: Cobalt binding site 2 out of 2 in 1cob Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1cob. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His61, B: His69, B: Gly70, B: His78, B: Asp81, B: Lys134, B: Thr135, B: Hoh190, conact list: Atom Atom Distance (A) Co NE2 B:His61 4.10 Co CB B:His61 3.44 Co ND1 B:His61 1.99 Co CD2 B:His61 4.17 Co CE1 B:His61 2.94 Co CG B:His61 3.05 Co CA B:His61 4.98 Co NE2 B:His69 4.37 Co N B:His69 4.94 Co CB B:His69 3.77 Co ND1 B:His69 2.32 Co CD2 B:His69 4.49 Co C B:His69 4.91 Co CE1 B:His69 3.20 Co CG B:His69 3.41 Co CA B:His69 3.97 Co N B:Gly70 4.71 Co NE2 B:His78 4.11 Co N B:His78 4.75 Co CB B:His78 3.39 Co ND1 B:His78 1.97 Co CD2 B:His78 4.17 Co CE1 B:His78 2.95 Co CG B:His78 3.04 Co CA B:His78 4.72 Co N B:Asp81 4.80 Co CB B:Asp81 4.10 Co OD2 B:Asp81 2.67 Co OD1 B:Asp81 1.96 Co CG B:Asp81 2.63 Co CA B:Asp81 4.70 Co O B:Lys134 3.78 Co C B:Lys134 4.81 Co CA B:Thr135 5.00 Co O B:Hoh190 4.68 interactive model: