Nickel in the structure of 5'-Nucleotidase (E. Coli) With An Engineered Disulfide Bridge (S228C, P513C) (pdb 1oie)

The binding sites of Nickel atom in the structure of 5'-Nucleotidase (E. Coli) With An Engineered Disulfide Bridge (S228C, P513C) (pdb code 1oie). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1oie structure was solved by R.SCHULTZ-HEIENBROK, T.MAIER, N.STRAETER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 74.5-2.3 Space group P41212 a (A) 83.132 b (A) 83.132 c (A) 180.664 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.8 Rfree (%) 22 Nickel Binding Sites: Nickel binding site 1 out of 1 in 1oie Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1oie. 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: Asp41, A: Asp84, A: Asn116, A: His117, A: His217, A: His252, A: Hoh2007, A: Hoh2047, A: Hoh2083, A: Hoh2195, conact list: Atom Atom Distance (A) Ni OD1 A:Asp41 4.03 Ni CB A:Asp84 4.47 Ni OD2 A:Asp84 2.34 Ni OD1 A:Asp84 3.60 Ni CG A:Asp84 3.27 Ni N A:Asn116 4.44 Ni CB A:Asn116 4.52 Ni ND2 A:Asn116 3.66 Ni OD1 A:Asn116 2.21 Ni CG A:Asn116 3.22 Ni CA A:Asn116 4.99 Ni NE2 A:His117 4.78 Ni N A:His117 4.99 Ni CD2 A:His117 4.06 Ni NE2 A:His217 1.96 Ni ND1 A:His217 4.03 Ni CD2 A:His217 3.02 Ni CE1 A:His217 2.90 Ni CG A:His217 4.11 Ni O A:His252 4.16 Ni NE2 A:His252 4.33 Ni N A:His252 4.47 Ni CB A:His252 3.65 Ni ND1 A:His252 2.29 Ni CD2 A:His252 4.42 Ni C A:His252 4.33 Ni CE1 A:His252 3.19 Ni CG A:His252 3.32 Ni CA A:His252 3.51 Ni O A:Hoh2007 3.37 Ni O A:Hoh2047 2.31 Ni O A:Hoh2083 3.16 Ni O A:Hoh2195 4.55 interactive model: