Nickel in the structure of Crystal Structure of the Salmonella Type III Secretion System Tip Protein Sipd-C244S (pdb 3o00)

The binding sites of Nickel atom in the structure of Crystal Structure of the Salmonella Type III Secretion System Tip Protein Sipd-C244S (pdb code 3o00). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3o00 structure was solved by S.CHATTERJEE, D.ZHONG, B.A.NORDHUES, K.P.BATTAILE, S.LOVELL, R.N.DEGUZMAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 41.3-1.9 Space group C121 a (A) 203.348 b (A) 52.146 c (A) 57.555 alpha (°) 90.00 beta (°) 90.45 gamma (°) 90.00 Rfactor (%) 20.6 Rfree (%) 24.9 Nickel Binding Sites: Nickel binding site 1 out of 1 in 3o00 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3o00. 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: Gly36, A: His37, A: Met38, A: Hoh384, A: Hoh484, conact list: Atom Atom Distance (A) Ni O A:Gly36 4.13 Ni N A:Gly36 1.86 Ni C A:Gly36 2.94 Ni CA A:Gly36 2.91 Ni NE2 A:His37 4.04 Ni N A:His37 2.15 Ni CB A:His37 3.28 Ni ND1 A:His37 1.94 Ni CD2 A:His37 4.06 Ni C A:His37 3.91 Ni CE1 A:His37 2.95 Ni CG A:His37 2.93 Ni CA A:His37 3.17 Ni N A:Met38 3.72 Ni CE A:Met38 4.98 Ni CG A:Met38 4.90 Ni CG A:Met38 4.96 Ni CA A:Met38 4.95 Ni CA A:Met38 4.96 Ni O A:Hoh384 2.45 Ni O A:Hoh484 2.54 interactive model: