Iron in the structure of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) At 3.5 Angstrom Resolution (pdb 2qls)

The binding sites of Iron atom in the structure of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) At 3.5 Angstrom Resolution (pdb code 2qls). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2qls structure was solved by P.CHARLES, S.SUNDARESAN, K.PALANI, K.NEEELAGANDAN, M.N.PONNUSWAMY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 27.9-3.5 Space group P1211 a (A) 54.090 b (A) 88.490 c (A) 66.370 alpha (°) 90.00 beta (°) 105.72 gamma (°) 90.00 Rfactor (%) 19.9 Rfree (%) 29.3 Iron Binding Sites: Iron binding site 1 out of 4 in 2qls Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2qls. 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: Hem142, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.39 Fe CE1 A:His58 3.93 Fe CG2 A:Val62 4.41 Fe NE2 A:His87 2.42 Fe ND1 A:His87 4.55 Fe CD2 A:His87 3.44 Fe CE1 A:His87 3.39 Fe CG A:His87 4.60 Fe C2D A:Hem142 4.12 Fe NC A:Hem142 1.93 Fe CHB A:Hem142 3.50 Fe CHC A:Hem142 3.50 Fe C3D A:Hem142 4.11 Fe NA A:Hem142 1.99 Fe CHA A:Hem142 3.38 Fe C2A A:Hem142 4.05 Fe C1D A:Hem142 2.87 Fe C4A A:Hem142 3.03 Fe C4B A:Hem142 2.97 Fe C3A A:Hem142 4.13 Fe C4C A:Hem142 2.73 Fe C2B A:Hem142 4.14 Fe C1C A:Hem142 3.09 Fe C2C A:Hem142 4.19 Fe ND A:Hem142 1.90 Fe CHD A:Hem142 3.10 Fe C1B A:Hem142 2.94 Fe NB A:Hem142 1.88 Fe FE A:Hem142 0.00 Fe C3C A:Hem142 3.98 Fe C3B A:Hem142 4.15 Fe C4D A:Hem142 2.96 Fe C1A A:Hem142 2.95 interactive model: Iron binding site 2 out of 4 in 2qls Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2qls. 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: Hem147, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.75 Fe CE1 B:His63 4.25 Fe CG2 B:Val67 4.68 Fe NE2 B:His92 2.28 Fe ND1 B:His92 4.39 Fe CD2 B:His92 3.22 Fe CE1 B:His92 3.29 Fe CG B:His92 4.38 Fe C2D B:Hem147 4.15 Fe NC B:Hem147 1.98 Fe CHB B:Hem147 3.47 Fe CHC B:Hem147 3.43 Fe C3D B:Hem147 4.08 Fe NA B:Hem147 1.86 Fe CHA B:Hem147 3.28 Fe C2A B:Hem147 4.18 Fe C1D B:Hem147 3.02 Fe C4A B:Hem147 2.99 Fe C4B B:Hem147 3.08 Fe C3A B:Hem147 4.21 Fe C4C B:Hem147 3.02 Fe C2B B:Hem147 4.42 Fe C1C B:Hem147 3.05 Fe C2C B:Hem147 4.27 Fe ND B:Hem147 1.91 Fe CHD B:Hem147 3.46 Fe C1B B:Hem147 3.14 Fe NB B:Hem147 2.06 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.16 Fe C3B B:Hem147 4.28 Fe C4D B:Hem147 2.87 Fe C1A B:Hem147 2.91 interactive model: Iron binding site 3 out of 4 in 2qls Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2qls. 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: His87, C: Hem142, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.41 Fe CE1 C:His58 4.17 Fe NE2 C:His87 2.19 Fe ND1 C:His87 4.15 Fe CD2 C:His87 3.35 Fe CE1 C:His87 2.95 Fe CG C:His87 4.38 Fe C2D C:Hem142 4.29 Fe NC C:Hem142 1.84 Fe CHB C:Hem142 3.48 Fe CHC C:Hem142 3.52 Fe C3D C:Hem142 4.27 Fe NA C:Hem142 1.95 Fe CHA C:Hem142 3.45 Fe C2A C:Hem142 4.17 Fe C1D C:Hem142 2.96 Fe C4A C:Hem142 2.98 Fe C4B C:Hem142 2.93 Fe C3A C:Hem142 4.08 Fe C4C C:Hem142 2.72 Fe C2B C:Hem142 4.14 Fe C1C C:Hem142 3.04 Fe C2C C:Hem142 4.22 Fe ND C:Hem142 1.94 Fe CHD C:Hem142 3.16 Fe C1B C:Hem142 3.04 Fe NB C:Hem142 1.94 Fe FE C:Hem142 0.00 Fe C3C C:Hem142 3.99 Fe C3B C:Hem142 4.06 Fe C4D C:Hem142 3.05 Fe C1A C:Hem142 2.99 interactive model: Iron binding site 4 out of 4 in 2qls Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2qls. 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: Hem147, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.09 Fe CE1 D:His63 4.86 Fe CG2 D:Val67 4.95 Fe NE2 D:His92 2.22 Fe ND1 D:His92 4.23 Fe CD2 D:His92 3.38 Fe CE1 D:His92 3.01 Fe CG D:His92 4.41 Fe C2D D:Hem147 4.30 Fe NC D:Hem147 1.86 Fe CHB D:Hem147 3.46 Fe CHC D:Hem147 3.53 Fe C3D D:Hem147 4.37 Fe NA D:Hem147 1.90 Fe CHA D:Hem147 3.45 Fe C2A D:Hem147 4.23 Fe C1D D:Hem147 2.98 Fe C4A D:Hem147 2.96 Fe C4B D:Hem147 3.10 Fe C3A D:Hem147 4.20 Fe C4C D:Hem147 2.84 Fe C2B D:Hem147 4.25 Fe C1C D:Hem147 3.08 Fe C2C D:Hem147 4.24 Fe ND D:Hem147 1.95 Fe CHD D:Hem147 3.22 Fe C1B D:Hem147 3.05 Fe NB D:Hem147 1.98 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.10 Fe C3B D:Hem147 4.26 Fe C4D D:Hem147 3.08 Fe C1A D:Hem147 3.03 interactive model: