Iron in the structure of A Fourth Quaternary Structure of Human Hemoglobin A At 2.18 A Resolution (pdb 1mko)

The binding sites of Iron atom in the structure of A Fourth Quaternary Structure of Human Hemoglobin A At 2.18 A Resolution (pdb code 1mko). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1mko structure was solved by M.K.SAFO, D.J.ABRAHAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.2 Space group P212121 a (A) 65.530 b (A) 154.570 c (A) 55.270 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 28.4 Iron Binding Sites: Iron binding site 1 out of 4 in 1mko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1mko. 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: His58, A: Val62, A: His87, A: Cmo142, A: Hem143, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.40 Fe CG2 A:Val62 4.70 Fe NE2 A:His87 2.03 Fe ND1 A:His87 4.20 Fe CD2 A:His87 2.98 Fe CE1 A:His87 3.08 Fe CG A:His87 4.17 Fe O A:Cmo142 3.14 Fe C A:Cmo142 1.91 Fe C2D A:Hem143 4.24 Fe NC A:Hem143 2.00 Fe CHB A:Hem143 3.54 Fe CHC A:Hem143 3.45 Fe C3D A:Hem143 4.22 Fe NA A:Hem143 2.06 Fe CHA A:Hem143 3.38 Fe C2A A:Hem143 4.30 Fe C1D A:Hem143 3.04 Fe C4A A:Hem143 3.13 Fe C4B A:Hem143 3.07 Fe C3A A:Hem143 4.32 Fe C4C A:Hem143 3.12 Fe C2B A:Hem143 4.36 Fe C1C A:Hem143 3.08 Fe C2C A:Hem143 4.28 Fe ND A:Hem143 1.97 Fe CHD A:Hem143 3.48 Fe C1B A:Hem143 3.11 Fe NB A:Hem143 2.01 Fe FE A:Hem143 0.00 Fe C3C A:Hem143 4.38 Fe C3B A:Hem143 4.33 Fe C4D A:Hem143 2.99 Fe C1A A:Hem143 3.06 interactive model: Iron binding site 2 out of 4 in 1mko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1mko. 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: His63, B: Val67, B: His92, B: Cmo147, B: Hem148, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.41 Fe CG2 B:Val67 4.81 Fe NE2 B:His92 2.08 Fe ND1 B:His92 4.24 Fe CD2 B:His92 3.20 Fe CE1 B:His92 3.05 Fe CG B:His92 4.33 Fe O B:Cmo147 3.02 Fe C B:Cmo147 1.80 Fe C2D B:Hem148 4.22 Fe NC B:Hem148 2.02 Fe CHB B:Hem148 3.45 Fe CHC B:Hem148 3.50 Fe C3D B:Hem148 4.25 Fe NA B:Hem148 2.10 Fe CHA B:Hem148 3.42 Fe C2A B:Hem148 4.37 Fe C1D B:Hem148 3.05 Fe C4A B:Hem148 3.10 Fe C4B B:Hem148 3.13 Fe C3A B:Hem148 4.33 Fe C4C B:Hem148 3.01 Fe C2B B:Hem148 4.31 Fe C1C B:Hem148 3.06 Fe C2C B:Hem148 4.29 Fe ND B:Hem148 2.00 Fe CHD B:Hem148 3.41 Fe C1B B:Hem148 3.07 Fe NB B:Hem148 2.02 Fe FE B:Hem148 0.00 Fe C3C B:Hem148 4.26 Fe C3B B:Hem148 4.39 Fe C4D B:Hem148 3.04 Fe C1A B:Hem148 3.09 interactive model: Iron binding site 3 out of 4 in 1mko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1mko. 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: His58, C: Val62, C: His87, C: Cmo142, C: Hem143, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.32 Fe CG2 C:Val62 4.97 Fe NE2 C:His87 2.01 Fe ND1 C:His87 4.16 Fe CD2 C:His87 3.02 Fe CE1 C:His87 3.02 Fe CG C:His87 4.18 Fe O C:Cmo142 3.05 Fe C C:Cmo142 1.83 Fe C2D C:Hem143 4.23 Fe NC C:Hem143 2.00 Fe CHB C:Hem143 3.43 Fe CHC C:Hem143 3.37 Fe C3D C:Hem143 4.33 Fe NA C:Hem143 2.09 Fe CHA C:Hem143 3.56 Fe C2A C:Hem143 4.37 Fe C1D C:Hem143 3.03 Fe C4A C:Hem143 3.08 Fe C4B C:Hem143 3.01 Fe C3A C:Hem143 4.28 Fe C4C C:Hem143 3.09 Fe C2B C:Hem143 4.27 Fe C1C C:Hem143 3.02 Fe C2C C:Hem143 4.28 Fe ND C:Hem143 2.00 Fe CHD C:Hem143 3.46 Fe C1B C:Hem143 3.04 Fe NB C:Hem143 1.99 Fe FE C:Hem143 0.00 Fe C3C C:Hem143 4.32 Fe C3B C:Hem143 4.28 Fe C4D C:Hem143 3.10 Fe C1A C:Hem143 3.17 interactive model: Iron binding site 4 out of 4 in 1mko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1mko. 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: His63, D: Val67, D: His92, D: Cmo147, D: Hem148, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.43 Fe CG2 D:Val67 4.98 Fe NE2 D:His92 2.07 Fe ND1 D:His92 4.23 Fe CD2 D:His92 3.03 Fe CE1 D:His92 3.11 Fe CG D:His92 4.21 Fe O D:Cmo147 2.91 Fe C D:Cmo147 1.76 Fe C2D D:Hem148 4.24 Fe NC D:Hem148 2.02 Fe CHB D:Hem148 3.50 Fe CHC D:Hem148 3.46 Fe C3D D:Hem148 4.26 Fe NA D:Hem148 2.05 Fe CHA D:Hem148 3.42 Fe C2A D:Hem148 4.28 Fe C1D D:Hem148 3.03 Fe C4A D:Hem148 3.12 Fe C4B D:Hem148 3.07 Fe C3A D:Hem148 4.33 Fe C4C D:Hem148 3.05 Fe C2B D:Hem148 4.28 Fe C1C D:Hem148 3.07 Fe C2C D:Hem148 4.31 Fe ND D:Hem148 1.99 Fe CHD D:Hem148 3.40 Fe C1B D:Hem148 3.06 Fe NB D:Hem148 1.99 Fe FE D:Hem148 0.00 Fe C3C D:Hem148 4.30 Fe C3B D:Hem148 4.31 Fe C4D D:Hem148 3.04 Fe C1A D:Hem148 3.05 interactive model: