Nickel in the structure of Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment (pdb 1e4w)

The binding sites of Nickel atom in the structure of Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment (pdb code 1e4w). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1e4w structure was solved by M.HAHN, D.WINKLER, R.MISSELWITZ, H.WESSNER, K.WELFLE, G.ZAHN, J.SCHNEIDER-MERGENER, W.HOEHNE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P212121 a (A) 49.220 b (A) 94.350 c (A) 121.790 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.4 Rfree (%) 26.9 Nickel Binding Sites: Nickel binding site 1 out of 1 in 1e4w Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1e4w. 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: L: His189, L: Hoh2163, L: Hoh2165, L: Hoh2201, conact list: Atom Atom Distance (A) Ni NE2 L:His189 2.49 Ni ND1 L:His189 4.55 Ni CD2 L:His189 3.17 Ni CE1 L:His189 3.55 Ni CG L:His189 4.40 Ni O L:Hoh2163 4.16 Ni O L:Hoh2165 4.48 Ni O L:Hoh2201 4.14 interactive model: