Iron in the structure of Crystal Structure Of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) At 2.0 Resolution. (pdb 1fhj)

The binding sites of Iron atom in the structure of Crystal Structure Of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) At 2.0 Resolution. (pdb code 1fhj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1fhj structure was solved by V.FADEL, W.F.DE AZEVEDO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group P212121 a (A) 54.184 b (A) 87.725 c (A) 133.450 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 24.6 Iron Binding Sites: Iron binding site 1 out of 4 in 1fhj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1fhj. 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, A: Hoh193, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.17 Fe CE1 A:His58 4.51 Fe CG2 A:Val62 4.85 Fe NE2 A:His87 2.40 Fe ND1 A:His87 4.45 Fe CD2 A:His87 3.46 Fe CE1 A:His87 3.23 Fe CG A:His87 4.54 Fe C2D A:Hem142 4.23 Fe NC A:Hem142 1.99 Fe CHB A:Hem142 3.40 Fe CHC A:Hem142 3.36 Fe C3D A:Hem142 4.22 Fe NA A:Hem142 1.95 Fe CHA A:Hem142 3.40 Fe C2A A:Hem142 4.19 Fe C1D A:Hem142 2.98 Fe C4A A:Hem142 3.01 Fe C4B A:Hem142 3.06 Fe C3A A:Hem142 4.25 Fe C4C A:Hem142 3.03 Fe C2B A:Hem142 4.33 Fe C1C A:Hem142 3.02 Fe C2C A:Hem142 4.26 Fe ND A:Hem142 1.94 Fe CHD A:Hem142 3.36 Fe C1B A:Hem142 3.08 Fe NB A:Hem142 2.03 Fe FE A:Hem142 0.00 Fe C3C A:Hem142 4.27 Fe C3B A:Hem142 4.34 Fe C4D A:Hem142 3.02 Fe C1A A:Hem142 3.00 Fe O A:Hoh193 2.76 interactive model: Iron binding site 2 out of 4 in 1fhj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1fhj. 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, B: Hoh182, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.23 Fe CE1 B:His63 4.88 Fe CG2 B:Val67 4.53 Fe NE2 B:His92 2.17 Fe ND1 B:His92 4.29 Fe CD2 B:His92 3.18 Fe CE1 B:His92 3.14 Fe CG B:His92 4.29 Fe C2D B:Hem147 4.23 Fe NC B:Hem147 1.99 Fe CHB B:Hem147 3.48 Fe CHC B:Hem147 3.37 Fe C3D B:Hem147 4.17 Fe NA B:Hem147 1.94 Fe CHA B:Hem147 3.22 Fe C2A B:Hem147 4.14 Fe C1D B:Hem147 3.02 Fe C4A B:Hem147 3.04 Fe C4B B:Hem147 3.03 Fe C3A B:Hem147 4.23 Fe C4C B:Hem147 3.08 Fe C2B B:Hem147 4.34 Fe C1C B:Hem147 3.03 Fe C2C B:Hem147 4.31 Fe ND B:Hem147 1.92 Fe CHD B:Hem147 3.43 Fe C1B B:Hem147 3.08 Fe NB B:Hem147 1.98 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.33 Fe C3B B:Hem147 4.32 Fe C4D B:Hem147 2.91 Fe C1A B:Hem147 2.89 Fe O B:Hoh182 3.23 interactive model: Iron binding site 3 out of 4 in 1fhj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1fhj. 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, C: Hoh183, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.37 Fe CE1 C:His58 4.68 Fe NE2 C:His87 2.35 Fe ND1 C:His87 4.43 Fe CD2 C:His87 3.35 Fe CE1 C:His87 3.27 Fe CG C:His87 4.49 Fe C2D C:Hem142 4.33 Fe NC C:Hem142 2.00 Fe CHB C:Hem142 3.37 Fe CHC C:Hem142 3.46 Fe C3D C:Hem142 4.34 Fe NA C:Hem142 2.00 Fe CHA C:Hem142 3.51 Fe C2A C:Hem142 4.31 Fe C1D C:Hem142 3.08 Fe C4A C:Hem142 3.02 Fe C4B C:Hem142 3.05 Fe C3A C:Hem142 4.28 Fe C4C C:Hem142 3.01 Fe C2B C:Hem142 4.28 Fe C1C C:Hem142 3.08 Fe C2C C:Hem142 4.25 Fe ND C:Hem142 2.01 Fe CHD C:Hem142 3.40 Fe C1B C:Hem142 3.02 Fe NB C:Hem142 1.97 Fe FE C:Hem142 0.00 Fe C3C C:Hem142 4.23 Fe C3B C:Hem142 4.29 Fe C4D C:Hem142 3.10 Fe C1A C:Hem142 3.11 Fe O C:Hoh183 2.95 interactive model: Iron binding site 4 out of 4 in 1fhj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1fhj. 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, D: Hoh190, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.21 Fe CE1 D:His63 4.63 Fe CG2 D:Val67 4.75 Fe NE2 D:His92 2.13 Fe ND1 D:His92 4.19 Fe CD2 D:His92 3.20 Fe CE1 D:His92 2.99 Fe CG D:His92 4.26 Fe C2D D:Hem147 4.30 Fe NC D:Hem147 2.03 Fe CHB D:Hem147 3.43 Fe CHC D:Hem147 3.51 Fe C3D D:Hem147 4.28 Fe NA D:Hem147 1.95 Fe CHA D:Hem147 3.33 Fe C2A D:Hem147 4.21 Fe C1D D:Hem147 3.04 Fe C4A D:Hem147 3.02 Fe C4B D:Hem147 3.16 Fe C3A D:Hem147 4.24 Fe C4C D:Hem147 3.08 Fe C2B D:Hem147 4.36 Fe C1C D:Hem147 3.13 Fe C2C D:Hem147 4.37 Fe ND D:Hem147 1.97 Fe CHD D:Hem147 3.41 Fe C1B D:Hem147 3.09 Fe NB D:Hem147 2.05 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.35 Fe C3B D:Hem147 4.42 Fe C4D D:Hem147 3.00 Fe C1A D:Hem147 2.97 Fe O D:Hoh190 2.98 interactive model: