Nickel in the structure of Structure of Human Leukotriene C4 Synthase Mutant R31Q in Complex With Glutathione (pdb 3leo)

The binding sites of Nickel atom in the structure of Structure of Human Leukotriene C4 Synthase Mutant R31Q in Complex With Glutathione (pdb code 3leo). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3leo structure was solved by D.NIEGOWSKI, D.MARTINEZ-MOLINA, A.RINALDO-MATTHIS, P.NORDLUND, J.HAEGGSTROM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.1 Space group F23 a (A) 169.540 b (A) 169.540 c (A) 169.540 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.2 Rfree (%) 19.6 Nickel Binding Sites: Nickel binding site 1 out of 2 in 3leo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3leo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Nickel atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His-1, A: His1, conact list: Atom Atom Distance (A) Ni NE2 A:His-1 2.37 Ni ND1 A:His-1 4.46 Ni CD2 A:His-1 3.25 Ni CE1 A:His-1 3.39 Ni CG A:His-1 4.43 Ni NE2 A:His1 1.96 Ni ND1 A:His1 4.05 Ni CD2 A:His1 2.75 Ni CE1 A:His1 3.06 Ni CG A:His1 3.94 interactive model: Nickel binding site 2 out of 2 in 3leo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Nickel in the PDB 3leo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Nickel atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His-4, A: His-2, conact list: Atom Atom Distance (A) Ni NE2 A:His-4 2.71 Ni ND1 A:His-4 4.72 Ni CD2 A:His-4 3.32 Ni CE1 A:His-4 3.79 Ni CG A:His-4 4.53 Ni NE2 A:His-2 2.55 Ni ND1 A:His-2 4.64 Ni CD2 A:His-2 3.21 Ni CE1 A:His-2 3.67 Ni CG A:His-2 4.46 interactive model: