Iron in the structure of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) (pdb 1ch4)

The binding sites of Iron atom in the structure of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) (pdb code 1ch4). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1ch4 structure was solved by T.SHIRAI, M.FUJIKAKE, T.YAMANE, K.INABA, K.ISHIMORI, I.MORISHIMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.5 Space group P1211 a (A) 62.870 b (A) 81.310 c (A) 55.110 alpha (°) 90.00 beta (°) 90.96 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 24.4 Iron Binding Sites: Iron binding site 1 out of 4 in 1ch4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1ch4. 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: His63, A: His92, A: Hem147, A: Cmo148, conact list: Atom Atom Distance (A) Fe NE2 A:His63 4.40 Fe CE1 A:His63 4.92 Fe NE2 A:His92 2.16 Fe ND1 A:His92 4.25 Fe CD2 A:His92 3.14 Fe CE1 A:His92 3.08 Fe CG A:His92 4.25 Fe C2D A:Hem147 4.25 Fe NC A:Hem147 1.97 Fe CHB A:Hem147 3.39 Fe CHC A:Hem147 3.39 Fe C3D A:Hem147 4.24 Fe NA A:Hem147 1.97 Fe CHA A:Hem147 3.39 Fe C2A A:Hem147 4.27 Fe C1D A:Hem147 3.01 Fe C4A A:Hem147 3.02 Fe C4B A:Hem147 3.05 Fe C3A A:Hem147 4.26 Fe C4C A:Hem147 3.02 Fe C2B A:Hem147 4.26 Fe C1C A:Hem147 3.01 Fe C2C A:Hem147 4.25 Fe ND A:Hem147 1.96 Fe CHD A:Hem147 3.38 Fe C1B A:Hem147 3.02 Fe NB A:Hem147 1.98 Fe FE A:Hem147 0.00 Fe C3C A:Hem147 4.27 Fe C3B A:Hem147 4.31 Fe C4D A:Hem147 3.02 Fe C1A A:Hem147 3.03 Fe O A:Cmo148 3.00 Fe C A:Cmo148 1.87 interactive model: Iron binding site 2 out of 4 in 1ch4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1ch4. 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: Hem147, B: Cmo148, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.40 Fe CE1 B:His63 4.92 Fe NE2 B:His92 2.16 Fe ND1 B:His92 4.25 Fe CD2 B:His92 3.14 Fe CE1 B:His92 3.08 Fe CG B:His92 4.25 Fe C2D B:Hem147 4.25 Fe NC B:Hem147 1.97 Fe CHB B:Hem147 3.39 Fe CHC B:Hem147 3.39 Fe C3D B:Hem147 4.24 Fe NA B:Hem147 1.97 Fe CHA B:Hem147 3.39 Fe C2A B:Hem147 4.27 Fe C1D B:Hem147 3.01 Fe C4A B:Hem147 3.02 Fe C4B B:Hem147 3.04 Fe C3A B:Hem147 4.26 Fe C4C B:Hem147 3.02 Fe C2B B:Hem147 4.26 Fe C1C B:Hem147 3.01 Fe C2C B:Hem147 4.25 Fe ND B:Hem147 1.96 Fe CHD B:Hem147 3.38 Fe C1B B:Hem147 3.02 Fe NB B:Hem147 1.98 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.27 Fe C3B B:Hem147 4.31 Fe C4D B:Hem147 3.02 Fe C1A B:Hem147 3.03 Fe O B:Cmo148 3.00 Fe C B:Cmo148 1.87 interactive model: Iron binding site 3 out of 4 in 1ch4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1ch4. 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: His63, C: Val67, C: His92, C: Hem147, C: Cmo148, conact list: Atom Atom Distance (A) Fe NE2 C:His63 4.29 Fe CE1 C:His63 4.87 Fe CG2 C:Val67 4.89 Fe NE2 C:His92 2.22 Fe ND1 C:His92 4.31 Fe CD2 C:His92 3.22 Fe CE1 C:His92 3.14 Fe CG C:His92 4.34 Fe C2D C:Hem147 4.24 Fe NC C:Hem147 1.96 Fe CHB C:Hem147 3.40 Fe CHC C:Hem147 3.38 Fe C3D C:Hem147 4.26 Fe NA C:Hem147 1.97 Fe CHA C:Hem147 3.39 Fe C2A C:Hem147 4.24 Fe C1D C:Hem147 3.00 Fe C4A C:Hem147 3.02 Fe C4B C:Hem147 3.02 Fe C3A C:Hem147 4.24 Fe C4C C:Hem147 3.01 Fe C2B C:Hem147 4.27 Fe C1C C:Hem147 3.01 Fe C2C C:Hem147 4.24 Fe ND C:Hem147 1.96 Fe CHD C:Hem147 3.38 Fe C1B C:Hem147 3.03 Fe NB C:Hem147 1.97 Fe FE C:Hem147 0.00 Fe C3C C:Hem147 4.26 Fe C3B C:Hem147 4.28 Fe C4D C:Hem147 3.02 Fe C1A C:Hem147 3.01 Fe O C:Cmo148 3.00 Fe C C:Cmo148 1.88 interactive model: Iron binding site 4 out of 4 in 1ch4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1ch4. 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: Cmo148, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.29 Fe CE1 D:His63 4.87 Fe CG2 D:Val67 4.89 Fe NE2 D:His92 2.22 Fe ND1 D:His92 4.32 Fe CD2 D:His92 3.22 Fe CE1 D:His92 3.14 Fe CG D:His92 4.34 Fe C2D D:Hem147 4.24 Fe NC D:Hem147 1.96 Fe CHB D:Hem147 3.40 Fe CHC D:Hem147 3.38 Fe C3D D:Hem147 4.26 Fe NA D:Hem147 1.97 Fe CHA D:Hem147 3.39 Fe C2A D:Hem147 4.24 Fe C1D D:Hem147 3.00 Fe C4A D:Hem147 3.02 Fe C4B D:Hem147 3.02 Fe C3A D:Hem147 4.24 Fe C4C D:Hem147 3.01 Fe C2B D:Hem147 4.27 Fe C1C D:Hem147 3.01 Fe C2C D:Hem147 4.24 Fe ND D:Hem147 1.96 Fe CHD D:Hem147 3.38 Fe C1B D:Hem147 3.03 Fe NB D:Hem147 1.97 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.26 Fe C3B D:Hem147 4.28 Fe C4D D:Hem147 3.02 Fe C1A D:Hem147 3.01 Fe O D:Cmo148 3.00 Fe C D:Cmo148 1.87 interactive model: