Iron in the structure of Structure Determination of Haemoglobin From Turkey(Meleagris Gallopavo) At 2.8 Angstrom Resolution (pdb 2qmb)

The binding sites of Iron atom in the structure of Structure Determination of Haemoglobin From Turkey(Meleagris Gallopavo) At 2.8 Angstrom Resolution (pdb code 2qmb). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2qmb structure was solved by P.CHARLES, S.SUNDARESAN, M.N.PONNUSWAMY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.4-2.8 Space group P212121 a (A) 66.000 b (A) 79.795 c (A) 103.920 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.2 Rfree (%) 28.4 Iron Binding Sites: Iron binding site 1 out of 4 in 2qmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2qmb. 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: Hem150, A: Oxy151, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.25 Fe CE1 A:His58 4.60 Fe CG2 A:Val62 4.80 Fe NE2 A:His87 2.03 Fe ND1 A:His87 4.00 Fe CD2 A:His87 3.20 Fe CE1 A:His87 2.79 Fe CG A:His87 4.22 Fe C2D A:Hem150 4.28 Fe NC A:Hem150 1.84 Fe CHB A:Hem150 3.41 Fe CHC A:Hem150 3.30 Fe C3D A:Hem150 4.29 Fe NA A:Hem150 2.03 Fe CHA A:Hem150 3.38 Fe C2A A:Hem150 4.32 Fe C1D A:Hem150 3.01 Fe C4A A:Hem150 3.07 Fe C4B A:Hem150 2.77 Fe C3A A:Hem150 4.34 Fe C4C A:Hem150 2.86 Fe C2B A:Hem150 4.13 Fe C1C A:Hem150 2.95 Fe C2C A:Hem150 4.19 Fe ND A:Hem150 2.08 Fe CHD A:Hem150 3.30 Fe C1B A:Hem150 2.92 Fe NB A:Hem150 1.71 Fe FE A:Hem150 0.00 Fe C3C A:Hem150 4.08 Fe C3B A:Hem150 4.00 Fe C4D A:Hem150 3.04 Fe C1A A:Hem150 3.06 Fe O1 A:Oxy151 1.69 Fe O2 A:Oxy151 2.48 interactive model: Iron binding site 2 out of 4 in 2qmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2qmb. 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: His92, B: Hem150, B: Oxy151, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.38 Fe CE1 B:His63 4.94 Fe NE2 B:His92 2.04 Fe ND1 B:His92 3.99 Fe CD2 B:His92 3.12 Fe CE1 B:His92 2.86 Fe CG B:His92 4.16 Fe C2D B:Hem150 4.36 Fe NC B:Hem150 1.55 Fe CHB B:Hem150 3.49 Fe CHC B:Hem150 3.47 Fe C3D B:Hem150 4.34 Fe NA B:Hem150 2.15 Fe CHA B:Hem150 3.14 Fe C2A B:Hem150 4.30 Fe C1D B:Hem150 3.10 Fe C4A B:Hem150 3.18 Fe C4B B:Hem150 3.06 Fe C3A B:Hem150 4.39 Fe C4C B:Hem150 2.61 Fe C2B B:Hem150 4.30 Fe C1C B:Hem150 2.75 Fe C2C B:Hem150 3.86 Fe ND B:Hem150 2.04 Fe CHD B:Hem150 3.39 Fe C1B B:Hem150 3.10 Fe NB B:Hem150 2.08 Fe FE B:Hem150 0.00 Fe C3C B:Hem150 3.75 Fe C3B B:Hem150 4.29 Fe C4D B:Hem150 3.01 Fe C1A B:Hem150 2.98 Fe O1 B:Oxy151 1.69 Fe O2 B:Oxy151 2.53 interactive model: Iron binding site 3 out of 4 in 2qmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2qmb. 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: Hem150, C: Oxy151, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.29 Fe CE1 C:His58 4.75 Fe CG2 C:Val62 4.88 Fe NE2 C:His87 2.12 Fe ND1 C:His87 4.22 Fe CD2 C:His87 3.12 Fe CE1 C:His87 3.08 Fe CG C:His87 4.28 Fe C2D C:Hem150 4.16 Fe NC C:Hem150 2.05 Fe CHB C:Hem150 3.54 Fe CHC C:Hem150 3.48 Fe C3D C:Hem150 4.25 Fe NA C:Hem150 2.01 Fe CHA C:Hem150 3.35 Fe C2A C:Hem150 4.15 Fe C1D C:Hem150 2.88 Fe C4A C:Hem150 3.09 Fe C4B C:Hem150 3.08 Fe C3A C:Hem150 4.18 Fe C4C C:Hem150 2.90 Fe C2B C:Hem150 4.34 Fe C1C C:Hem150 3.17 Fe C2C C:Hem150 4.33 Fe ND C:Hem150 1.97 Fe CHD C:Hem150 3.14 Fe C1B C:Hem150 3.11 Fe NB C:Hem150 2.06 Fe FE C:Hem150 0.00 Fe C3C C:Hem150 4.18 Fe C3B C:Hem150 4.34 Fe C4D C:Hem150 3.05 Fe C1A C:Hem150 2.93 Fe O1 C:Oxy151 1.69 Fe O2 C:Oxy151 2.51 interactive model: Iron binding site 4 out of 4 in 2qmb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2qmb. 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: His92, D: Hem150, D: Oxy151, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.37 Fe CE1 D:His63 4.99 Fe NE2 D:His92 2.69 Fe ND1 D:His92 3.06 Fe CD2 D:His92 3.93 Fe CE1 D:His92 1.94 Fe CG D:His92 4.11 Fe C2D D:Hem150 4.18 Fe NC D:Hem150 2.01 Fe CHB D:Hem150 3.40 Fe CHC D:Hem150 3.51 Fe C3D D:Hem150 4.35 Fe NA D:Hem150 2.21 Fe CHA D:Hem150 3.65 Fe C2A D:Hem150 4.45 Fe C1D D:Hem150 2.89 Fe C4A D:Hem150 3.13 Fe C4B D:Hem150 3.08 Fe C3A D:Hem150 4.40 Fe C4C D:Hem150 2.93 Fe C2B D:Hem150 4.26 Fe C1C D:Hem150 3.10 Fe C2C D:Hem150 4.27 Fe ND D:Hem150 2.07 Fe CHD D:Hem150 3.15 Fe C1B D:Hem150 3.02 Fe NB D:Hem150 2.02 Fe FE D:Hem150 0.00 Fe C3C D:Hem150 4.21 Fe C3B D:Hem150 4.30 Fe C4D D:Hem150 3.17 Fe C1A D:Hem150 3.29 Fe O1 D:Oxy151 1.67 Fe O2 D:Oxy151 2.49 interactive model: