Chlorine in the structure of Crystal Structure of Cisplatinated Bovine Cu,Zn Superoxide Dismutase (pdb 2aeo)

The binding sites of Chlorine atom in the structure of Crystal Structure of Cisplatinated Bovine Cu,Zn Superoxide Dismutase (pdb code 2aeo). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom. The 2aeo structure was solved by V.CALDERONE, A.CASINI, S.MANGANI, L.MESSORI, P.L.ORIOLI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 44.9-1.8 Space group P212121 a (A) 47.207 b (A) 50.920 c (A) 146.738 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 23.6 Chlorine Binding Sites: Chlorine binding site 1 out of 4 in 2aeo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 2aeo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His19, A: Ncp284, A: Hoh428, conact list: Atom Atom Distance (A) Cl NE2 A:His19 4.75 Cl CL2 A:Ncp284 3.63 Cl PT A:Ncp284 2.55 Cl CL1 A:Ncp284 0.00 Cl O A:Hoh428 4.33 interactive model: Chlorine binding site 2 out of 4 in 2aeo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Chlorine in the PDB 2aeo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr17, A: Ile18, A: His19, A: Gly31, A: Ser32, A: Ncp284, conact list: Atom Atom Distance (A) Cl O A:Thr17 3.23 Cl N A:Thr17 4.75 Cl CB A:Thr17 3.64 Cl CG2 A:Thr17 3.98 Cl OG1 A:Thr17 4.65 Cl C A:Thr17 3.97 Cl CA A:Thr17 4.35 Cl N A:Ile18 4.95 Cl NE2 A:His19 3.36 Cl CD2 A:His19 3.52 Cl CE1 A:His19 4.54 Cl CG A:His19 4.77 Cl N A:Gly31 4.63 Cl C A:Gly31 3.99 Cl CA A:Gly31 3.42 Cl N A:Ser32 3.80 Cl OG A:Ser32 4.53 Cl CA A:Ser32 4.94 Cl CL2 A:Ncp284 0.00 Cl PT A:Ncp284 2.28 Cl CL1 A:Ncp284 3.63 interactive model: Chlorine binding site 3 out of 4 in 2aeo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Chlorine in the PDB 2aeo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Thr17, B: Ile18, B: His19, B: Gly31, B: Ser32, B: Ncp287, B: Hoh350, B: Hoh363, conact list: Atom Atom Distance (A) Cl O B:Thr17 3.23 Cl N B:Thr17 4.86 Cl CB B:Thr17 4.35 Cl CG2 B:Thr17 4.42 Cl OG1 B:Thr17 3.69 Cl C B:Thr17 4.00 Cl CA B:Thr17 4.50 Cl N B:Ile18 4.97 Cl NE2 B:His19 3.32 Cl CD2 B:His19 3.37 Cl CE1 B:His19 4.58 Cl CG B:His19 4.68 Cl N B:Gly31 4.67 Cl C B:Gly31 4.04 Cl CA B:Gly31 3.49 Cl N B:Ser32 3.83 Cl CB B:Ser32 4.96 Cl OG B:Ser32 4.40 Cl CA B:Ser32 4.94 Cl CL2 B:Ncp287 3.53 Cl PT B:Ncp287 2.37 Cl CL1 B:Ncp287 0.00 Cl O B:Hoh350 4.98 Cl O B:Hoh363 4.94 interactive model: Chlorine binding site 4 out of 4 in 2aeo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Chlorine in the PDB 2aeo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His19, B: Ncp287, B: Hoh339, conact list: Atom Atom Distance (A) Cl NE2 B:His19 4.65 Cl CL2 B:Ncp287 0.00 Cl PT B:Ncp287 2.49 Cl CL1 B:Ncp287 3.53 Cl O B:Hoh339 3.96 interactive model: