Nickel in the structure of Crystal Structure of A Hypothetical Protein At 2.0 A Resolution (pdb 1sum)

The binding sites of Nickel atom in the structure of Crystal Structure of A Hypothetical Protein At 2.0 A Resolution (pdb code 1sum). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1sum structure was solved by J.LIU, Y.LOU, H.YOKOTA, P.D.ADAMS, R.KIM, S.H.KIM, BERKELEY STRUCTURALGENOMICS CENTER (BSGC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P3121 a (A) 90.677 b (A) 90.677 c (A) 45.255 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.7 Rfree (%) 25.5 Nickel Binding Sites: Nickel binding site 1 out of 1 in 1sum Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1sum. 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: B: Glu49, B: Glu50, B: Asp53, B: Fe237, B: Po3569, B: Hoh575, B: Hoh592, B: Hoh611, B: Hoh646, conact list: Atom Atom Distance (A) Ni O B:Glu49 4.87 Ni OE1 B:Glu49 2.54 Ni OE2 B:Glu49 2.52 Ni CD B:Glu49 2.90 Ni C B:Glu49 4.97 Ni CG B:Glu49 4.42 Ni N B:Glu50 4.84 Ni OE1 B:Glu50 2.63 Ni CB B:Glu50 4.86 Ni OE2 B:Glu50 3.87 Ni CD B:Glu50 3.53 Ni CG B:Glu50 4.77 Ni CA B:Glu50 4.61 Ni CB B:Asp53 4.62 Ni OD2 B:Asp53 2.29 Ni OD1 B:Asp53 4.09 Ni CG B:Asp53 3.50 Ni FE B:Fe237 3.98 Ni O2 B:Po3569 4.72 Ni P B:Po3569 4.61 Ni O3 B:Po3569 3.46 Ni O B:Hoh575 4.86 Ni O B:Hoh592 2.69 Ni O B:Hoh611 2.02 Ni O B:Hoh646 3.21 interactive model: