Nickel in the structure of Crystal Structure of Putative Pilm Protein From Pseudomonas Aeruginosa 2192 (pdb 3hg9)

The binding sites of Nickel atom in the structure of Crystal Structure of Putative Pilm Protein From Pseudomonas Aeruginosa 2192 (pdb code 3hg9). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3hg9 structure was solved by V.N.MALASHKEVICH, R.TORO, M.J.SAUDER, S.K.BURLEY, S.C.ALMO, NEW YORK SGXRESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.4 Space group P62 a (A) 64.516 b (A) 64.516 c (A) 143.134 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 23.5 Rfree (%) 26.7 Nickel Binding Sites: Nickel binding site 1 out of 2 in 3hg9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3hg9. 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: His31, B: His126, B: His127, A: Hoh197, B: Hoh142, conact list: Atom Atom Distance (A) Ni NE2 A:His31 3.00 Ni ND1 A:His31 4.90 Ni CD2 A:His31 4.03 Ni CE1 A:His31 3.73 Ni NE2 B:His126 3.67 Ni CD2 B:His126 4.70 Ni CE1 B:His126 4.30 Ni NE2 B:His127 4.69 Ni CD2 B:His127 4.58 Ni O A:Hoh197 4.13 Ni O B:Hoh142 4.69 interactive model: Nickel binding site 2 out of 2 in 3hg9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Nickel in the PDB 3hg9. 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: His126, B: His31, A: Hoh147, conact list: Atom Atom Distance (A) Ni NE2 A:His126 2.93 Ni ND1 A:His126 4.80 Ni CD2 A:His126 2.94 Ni CE1 A:His126 4.17 Ni CG A:His126 4.22 Ni NE2 B:His31 2.74 Ni ND1 B:His31 4.89 Ni CD2 B:His31 3.40 Ni CE1 B:His31 3.89 Ni CG B:His31 4.69 Ni O A:Hoh147 3.18 interactive model: