Iron in the structure of Deoxy RHB1.1 (Recombinant Hemoglobin) (pdb 1c7c)

The binding sites of Iron atom in the structure of Deoxy RHB1.1 (Recombinant Hemoglobin) (pdb code 1c7c). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1c7c structure was solved by E.A.BRUCKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.8 Space group P1211 a (A) 63.204 b (A) 83.357 c (A) 54.003 alpha (°) 90.00 beta (°) 99.07 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 22.7 Iron Binding Sites: Iron binding site 1 out of 4 in 1c7c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1c7c. 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: His87, A: Leu91, A: Hem284, A: Hoh1167, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.53 Fe CE1 A:His58 4.54 Fe NE2 A:His87 2.19 Fe ND1 A:His87 4.22 Fe CD2 A:His87 3.33 Fe CE1 A:His87 3.02 Fe CG A:His87 4.39 Fe CD1 A:Leu91 4.64 Fe C2D A:Hem284 4.34 Fe NC A:Hem284 2.09 Fe CHB A:Hem284 3.42 Fe CHC A:Hem284 3.44 Fe C3D A:Hem284 4.33 Fe NA A:Hem284 2.11 Fe CHA A:Hem284 3.43 Fe C2A A:Hem284 4.34 Fe C1D A:Hem284 3.11 Fe C4A A:Hem284 3.11 Fe C4B A:Hem284 3.11 Fe C3A A:Hem284 4.34 Fe C4C A:Hem284 3.11 Fe C2B A:Hem284 4.34 Fe C1C A:Hem284 3.11 Fe C2C A:Hem284 4.34 Fe ND A:Hem284 2.09 Fe CHD A:Hem284 3.45 Fe C1B A:Hem284 3.11 Fe NB A:Hem284 2.10 Fe FE A:Hem284 0.00 Fe C3C A:Hem284 4.35 Fe C3B A:Hem284 4.35 Fe C4D A:Hem284 3.10 Fe C1A A:Hem284 3.11 Fe O A:Hoh1167 3.67 interactive model: Iron binding site 2 out of 4 in 1c7c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1c7c. 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: His200, A: His229, A: Leu233, A: Hem285, A: Hoh1180, conact list: Atom Atom Distance (A) Fe NE2 A:His200 4.51 Fe CE1 A:His200 4.60 Fe NE2 A:His229 2.15 Fe ND1 A:His229 4.11 Fe CD2 A:His229 3.33 Fe CE1 A:His229 2.88 Fe CG A:His229 4.34 Fe CD1 A:Leu233 4.50 Fe C2D A:Hem285 4.34 Fe NC A:Hem285 2.09 Fe CHB A:Hem285 3.44 Fe CHC A:Hem285 3.44 Fe C3D A:Hem285 4.34 Fe NA A:Hem285 2.09 Fe CHA A:Hem285 3.44 Fe C2A A:Hem285 4.34 Fe C1D A:Hem285 3.11 Fe C4A A:Hem285 3.11 Fe C4B A:Hem285 3.11 Fe C3A A:Hem285 4.34 Fe C4C A:Hem285 3.11 Fe C2B A:Hem285 4.34 Fe C1C A:Hem285 3.11 Fe C2C A:Hem285 4.34 Fe ND A:Hem285 2.09 Fe CHD A:Hem285 3.45 Fe C1B A:Hem285 3.11 Fe NB A:Hem285 2.10 Fe FE A:Hem285 0.00 Fe C3C A:Hem285 4.35 Fe C3B A:Hem285 4.34 Fe C4D A:Hem285 3.11 Fe C1A A:Hem285 3.11 Fe O A:Hoh1180 3.74 interactive model: Iron binding site 3 out of 4 in 1c7c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1c7c. 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 4.23 Fe CE1 B:His63 4.56 Fe CG2 B:Val67 4.16 Fe NE2 B:His92 2.18 Fe ND1 B:His92 4.19 Fe CD2 B:His92 3.31 Fe CE1 B:His92 2.99 Fe CG B:His92 4.37 Fe C2D B:Hem147 4.33 Fe NC B:Hem147 2.09 Fe CHB B:Hem147 3.44 Fe CHC B:Hem147 3.44 Fe C3D B:Hem147 4.33 Fe NA B:Hem147 2.09 Fe CHA B:Hem147 3.43 Fe C2A B:Hem147 4.33 Fe C1D B:Hem147 3.10 Fe C4A B:Hem147 3.11 Fe C4B B:Hem147 3.11 Fe C3A B:Hem147 4.34 Fe C4C B:Hem147 3.11 Fe C2B B:Hem147 4.33 Fe C1C B:Hem147 3.11 Fe C2C B:Hem147 4.34 Fe ND B:Hem147 2.09 Fe CHD B:Hem147 3.44 Fe C1B B:Hem147 3.10 Fe NB B:Hem147 2.09 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.34 Fe C3B B:Hem147 4.34 Fe C4D B:Hem147 3.10 Fe C1A B:Hem147 3.11 interactive model: Iron binding site 4 out of 4 in 1c7c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1c7c. 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: Leu96, D: Hem147, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.33 Fe CE1 D:His63 4.84 Fe CG2 D:Val67 4.31 Fe NE2 D:His92 2.15 Fe ND1 D:His92 4.17 Fe CD2 D:His92 3.28 Fe CE1 D:His92 2.97 Fe CG D:His92 4.34 Fe CD1 D:Leu96 4.89 Fe C2D D:Hem147 4.32 Fe NC D:Hem147 2.09 Fe CHB D:Hem147 3.43 Fe CHC D:Hem147 3.44 Fe C3D D:Hem147 4.33 Fe NA D:Hem147 2.09 Fe CHA D:Hem147 3.42 Fe C2A D:Hem147 4.33 Fe C1D D:Hem147 3.11 Fe C4A D:Hem147 3.11 Fe C4B D:Hem147 3.11 Fe C3A D:Hem147 4.34 Fe C4C D:Hem147 3.11 Fe C2B D:Hem147 4.33 Fe C1C D:Hem147 3.11 Fe C2C D:Hem147 4.34 Fe ND D:Hem147 2.09 Fe CHD D:Hem147 3.44 Fe C1B D:Hem147 3.11 Fe NB D:Hem147 2.10 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.34 Fe C3B D:Hem147 4.33 Fe C4D D:Hem147 3.10 Fe C1A D:Hem147 3.10 interactive model: