Nickel in the structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: The Co,Ca-Protein At 1.6 Angstroms and the Ni,Ca-Protein At 2.0 Angstroms (pdb 1scr)

The binding sites of Nickel atom in the structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: The Co,Ca-Protein At 1.6 Angstroms and the Ni,Ca-Protein At 2.0 Angstroms (pdb code 1scr). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1scr structure was solved by C.EMMERICH, J.R.HELLIWELL, M.REDSHAW, J.H.NAISMITH, S.J.HARROP, J.RAFTERY, A.J.KALB, J.YARIV, Z.DAUTER, K.S.WILSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.0 Space group I222 a (A) 89.440 b (A) 87.210 c (A) 63.060 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.9 Rfree (%) n/a Nickel Binding Sites: Nickel binding site 1 out of 1 in 1scr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1scr. 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: Glu8, A: Asp10, A: Asp19, A: His24, A: Val32, A: Ser34, A: Ca239, A: Hoh248, A: Hoh252, A: Hoh253, A: Hoh367, conact list: Atom Atom Distance (A) Ni OE1 A:Glu8 3.54 Ni OE2 A:Glu8 2.21 Ni CD A:Glu8 3.20 Ni CG A:Glu8 4.53 Ni CB A:Asp10 3.47 Ni OD2 A:Asp10 2.13 Ni OD1 A:Asp10 4.15 Ni CG A:Asp10 3.09 Ni CA A:Asp10 4.97 Ni CB A:Asp19 4.21 Ni OD2 A:Asp19 3.51 Ni OD1 A:Asp19 2.17 Ni CG A:Asp19 3.08 Ni CA A:Asp19 4.55 Ni NE2 A:His24 2.13 Ni ND1 A:His24 4.13 Ni CD2 A:His24 3.17 Ni CE1 A:His24 2.97 Ni CG A:His24 4.25 Ni O A:Val32 4.85 Ni OG A:Ser34 4.19 Ni CA A:Ca239 4.18 Ni O A:Hoh248 4.07 Ni O A:Hoh252 2.26 Ni O A:Hoh253 2.28 Ni O A:Hoh367 4.47 interactive model: