Nickel in the structure of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015 (pdb 3sai)

The binding sites of Nickel atom in the structure of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015 (pdb code 3sai). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 3sai structure was solved by A.C.ANDERSON, J.M.BEIERLEIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.6-2.2 Space group P42 a (A) 77.880 b (A) 77.880 c (A) 67.060 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.9 Rfree (%) 25.3 Nickel Binding Sites: Nickel binding site 1 out of 1 in 3sai Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 3sai. 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: Leu144, A: Thr145, A: Asp146, A: Hoh238, conact list: Atom Atom Distance (A) Ni CD1 A:Leu144 4.88 Ni O A:Thr145 3.17 Ni C A:Thr145 4.26 Ni N A:Asp146 4.69 Ni CB A:Asp146 3.89 Ni CA A:Asp146 4.16 Ni O A:Hoh238 4.45 interactive model: