Cadmium in the structure of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin With A Covalent Linkage (pdb 2hz1)

The binding sites of Cadmium atom in the structure of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin With A Covalent Linkage (pdb code 2hz1). This binding sites where shown with 5.0 Angstroms radius around Cadmium atom. The 2hz1 structure was solved by J.A.HOY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.3-1.8 Space group P212121 a (A) 42.662 b (A) 46.503 c (A) 62.621 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.9 Rfree (%) 23.8 Cadmium Binding Sites: Cadmium binding site 1 out of 2 in 2hz1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cadmium in the PDB 2hz1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His33, A: Phe34, A: Ala36, A: His77, conact list: Atom Atom Distance (A) Cd O A:His33 2.65 Cd NE2 A:His33 4.35 Cd CB A:His33 3.51 Cd ND1 A:His33 2.27 Cd CD2 A:His33 4.37 Cd C A:His33 3.35 Cd CE1 A:His33 3.24 Cd CG A:His33 3.23 Cd CA A:His33 4.05 Cd N A:Phe34 4.08 Cd CA A:Phe34 4.30 Cd CB A:Ala36 4.99 Cd NE2 A:His77 4.39 Cd CB A:His77 3.77 Cd ND1 A:His77 2.53 Cd CD2 A:His77 4.45 Cd CE1 A:His77 3.34 Cd CG A:His77 3.43 Cd CA A:His77 4.51 interactive model: Cadmium binding site 2 out of 2 in 2hz1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cadmium in the PDB 2hz1. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cadmium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly63, A: Arg67, A: Ala116, A: Asp120, A: Hoh230, A: Hoh240, A: Hoh297, conact list: Atom Atom Distance (A) Cd O A:Gly63 4.81 Cd C A:Gly63 4.59 Cd CA A:Gly63 4.22 Cd NE A:Arg67 4.60 Cd NH2 A:Arg67 4.75 Cd O A:Ala116 4.29 Cd CB A:Asp120 4.31 Cd OD2 A:Asp120 2.52 Cd OD1 A:Asp120 2.31 Cd CG A:Asp120 2.79 Cd O A:Hoh230 2.27 Cd O A:Hoh240 2.29 Cd O A:Hoh297 2.29 interactive model: