Nickel in the structure of Structure of Human Mthfs With N5-Iminium Phosphate (pdb 3hy4)

The binding sites of Nickel atom in the structure of Structure of Human Mthfs With N5-Iminium Phosphate (pdb code 3hy4). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3hy4 structure was solved by D.WU, Y.LI, G.SONG, C.CHENG, N.SHAW, Z.-J.LIU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.3-2.8 Space group C2221 a (A) 48.065 b (A) 144.583 c (A) 60.149 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.6 Rfree (%) 30 Nickel Binding Sites: Nickel binding site 1 out of 1 in 3hy4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3hy4. 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: Arg82, A: Arg84, A: His89, A: Asp91, A: Glu122, A: Hoh209, A: Hoh221, A: Hoh250, conact list: Atom Atom Distance (A) Ni CZ A:Arg82 4.64 Ni NH2 A:Arg82 3.40 Ni CD A:Arg84 4.88 Ni NE2 A:His89 2.51 Ni ND1 A:His89 4.64 Ni CD2 A:His89 3.17 Ni CE1 A:His89 3.67 Ni CG A:His89 4.44 Ni N A:Asp91 4.83 Ni CB A:Asp91 4.21 Ni OD2 A:Asp91 2.33 Ni OD1 A:Asp91 3.14 Ni CG A:Asp91 2.95 Ni OE2 A:Glu122 4.04 Ni CD A:Glu122 4.93 Ni O A:Hoh209 3.57 Ni O A:Hoh221 4.86 Ni O A:Hoh250 2.66 interactive model: