Iron in the structure of Crystal Structure of Isdg-N7A in Complex With Hemin (pdb 2zdo)

The binding sites of Iron atom in the structure of Crystal Structure of Isdg-N7A in Complex With Hemin (pdb code 2zdo). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2zdo structure was solved by W.C.LEE, M.L.RENIERE, E.P.SKAAR, M.E.P.MURPHY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 56.8-1.8 Space group P1 a (A) 46.585 b (A) 58.631 c (A) 59.692 alpha (°) 77.57 beta (°) 74.39 gamma (°) 75.15 Rfactor (%) 19.8 Rfree (%) 23.4 Iron Binding Sites: Iron binding site 1 out of 4 in 2zdo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2zdo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Phe23, A: Ile54, A: His77, A: Hem200, conact list: Atom Atom Distance (A) Fe CZ A:Phe23 4.89 Fe CE1 A:Phe23 4.65 Fe CD1 A:Ile54 3.76 Fe NE2 A:His77 2.19 Fe ND1 A:His77 4.31 Fe CD2 A:His77 3.08 Fe CE1 A:His77 3.24 Fe CG A:His77 4.27 Fe C2D A:Hem200 4.22 Fe NC A:Hem200 2.01 Fe CHB A:Hem200 3.39 Fe CHC A:Hem200 3.35 Fe C3D A:Hem200 4.22 Fe NA A:Hem200 1.97 Fe CHA A:Hem200 3.29 Fe C2A A:Hem200 4.19 Fe C1D A:Hem200 3.02 Fe C4A A:Hem200 3.01 Fe C4B A:Hem200 3.04 Fe C3A A:Hem200 4.20 Fe C4C A:Hem200 3.04 Fe C2B A:Hem200 4.29 Fe C1C A:Hem200 3.05 Fe C2C A:Hem200 4.27 Fe ND A:Hem200 2.01 Fe CHD A:Hem200 3.38 Fe C1B A:Hem200 3.08 Fe NB A:Hem200 2.07 Fe FE A:Hem200 0.00 Fe C3C A:Hem200 4.26 Fe C3B A:Hem200 4.27 Fe C4D A:Hem200 2.99 Fe C1A A:Hem200 2.97 interactive model: Iron binding site 2 out of 4 in 2zdo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2zdo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Phe23, B: Ile54, B: His77, B: Hem200, conact list: Atom Atom Distance (A) Fe CZ B:Phe23 4.97 Fe CE1 B:Phe23 4.83 Fe CD1 B:Ile54 3.91 Fe NE2 B:His77 2.23 Fe ND1 B:His77 4.35 Fe CD2 B:His77 3.09 Fe CE1 B:His77 3.29 Fe CG B:His77 4.29 Fe C2D B:Hem200 4.27 Fe NC B:Hem200 2.06 Fe CHB B:Hem200 3.37 Fe CHC B:Hem200 3.33 Fe C3D B:Hem200 4.26 Fe NA B:Hem200 1.96 Fe CHA B:Hem200 3.31 Fe C2A B:Hem200 4.21 Fe C1D B:Hem200 3.07 Fe C4A B:Hem200 3.01 Fe C4B B:Hem200 2.99 Fe C3A B:Hem200 4.22 Fe C4C B:Hem200 3.09 Fe C2B B:Hem200 4.23 Fe C1C B:Hem200 3.07 Fe C2C B:Hem200 4.30 Fe ND B:Hem200 2.05 Fe CHD B:Hem200 3.43 Fe C1B B:Hem200 3.03 Fe NB B:Hem200 2.02 Fe FE B:Hem200 0.00 Fe C3C B:Hem200 4.30 Fe C3B B:Hem200 4.20 Fe C4D B:Hem200 3.02 Fe C1A B:Hem200 2.99 interactive model: Iron binding site 3 out of 4 in 2zdo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2zdo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Phe23, C: Ile54, C: His77, C: Hem200, conact list: Atom Atom Distance (A) Fe CE1 C:Phe23 4.85 Fe CD1 C:Ile54 3.88 Fe NE2 C:His77 2.17 Fe ND1 C:His77 4.26 Fe CD2 C:His77 3.12 Fe CE1 C:His77 3.16 Fe CG C:His77 4.27 Fe C2D C:Hem200 4.24 Fe NC C:Hem200 1.98 Fe CHB C:Hem200 3.39 Fe CHC C:Hem200 3.30 Fe C3D C:Hem200 4.24 Fe NA C:Hem200 1.97 Fe CHA C:Hem200 3.34 Fe C2A C:Hem200 4.21 Fe C1D C:Hem200 3.03 Fe C4A C:Hem200 3.01 Fe C4B C:Hem200 3.00 Fe C3A C:Hem200 4.22 Fe C4C C:Hem200 3.01 Fe C2B C:Hem200 4.26 Fe C1C C:Hem200 3.00 Fe C2C C:Hem200 4.23 Fe ND C:Hem200 2.02 Fe CHD C:Hem200 3.38 Fe C1B C:Hem200 3.06 Fe NB C:Hem200 2.03 Fe FE C:Hem200 0.00 Fe C3C C:Hem200 4.23 Fe C3B C:Hem200 4.23 Fe C4D C:Hem200 3.01 Fe C1A C:Hem200 2.99 interactive model: Iron binding site 4 out of 4 in 2zdo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2zdo. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Phe23, D: Ile54, D: His77, D: Hem200, conact list: Atom Atom Distance (A) Fe CE1 D:Phe23 4.78 Fe CD1 D:Ile54 3.65 Fe NE2 D:His77 2.19 Fe ND1 D:His77 4.29 Fe CD2 D:His77 3.10 Fe CE1 D:His77 3.21 Fe CG D:His77 4.27 Fe C2D D:Hem200 4.28 Fe NC D:Hem200 1.96 Fe CHB D:Hem200 3.42 Fe CHC D:Hem200 3.31 Fe C3D D:Hem200 4.28 Fe NA D:Hem200 1.98 Fe CHA D:Hem200 3.33 Fe C2A D:Hem200 4.21 Fe C1D D:Hem200 3.06 Fe C4A D:Hem200 3.03 Fe C4B D:Hem200 3.02 Fe C3A D:Hem200 4.23 Fe C4C D:Hem200 3.01 Fe C2B D:Hem200 4.28 Fe C1C D:Hem200 2.98 Fe C2C D:Hem200 4.19 Fe ND D:Hem200 2.06 Fe CHD D:Hem200 3.39 Fe C1B D:Hem200 3.09 Fe NB D:Hem200 2.06 Fe FE D:Hem200 0.00 Fe C3C D:Hem200 4.21 Fe C3B D:Hem200 4.26 Fe C4D D:Hem200 3.04 Fe C1A D:Hem200 2.99 interactive model: