Iron in the structure of Chimeric Human/Mouse Carbonmonoxy Hemoglobin (Human ZETA2 / Mouse BETA2) (pdb 1jeb)

The binding sites of Iron atom in the structure of Chimeric Human/Mouse Carbonmonoxy Hemoglobin (Human ZETA2 / Mouse BETA2) (pdb code 1jeb). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1jeb structure was solved by R.D.KIDD, J.E.RUSSELL, N.J.WATMOUGH, E.N.BAKER, T.BRITTAIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.1 Space group P41 a (A) 84.921 b (A) 84.921 c (A) 104.523 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) 24.9 Iron Binding Sites: Iron binding site 1 out of 4 in 1jeb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1jeb. 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: Hem142, A: Cmo143, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.61 Fe CE1 A:His58 4.53 Fe NE2 A:His87 2.28 Fe ND1 A:His87 4.38 Fe CD2 A:His87 3.21 Fe CE1 A:His87 3.28 Fe CG A:His87 4.38 Fe C2D A:Hem142 4.35 Fe NC A:Hem142 1.99 Fe CHB A:Hem142 3.41 Fe CHC A:Hem142 3.42 Fe C3D A:Hem142 4.31 Fe NA A:Hem142 1.95 Fe CHA A:Hem142 3.34 Fe C2A A:Hem142 4.25 Fe C1D A:Hem142 3.10 Fe C4A A:Hem142 3.04 Fe C4B A:Hem142 3.04 Fe C3A A:Hem142 4.29 Fe C4C A:Hem142 3.06 Fe C2B A:Hem142 4.27 Fe C1C A:Hem142 3.06 Fe C2C A:Hem142 4.31 Fe ND A:Hem142 2.00 Fe CHD A:Hem142 3.45 Fe C1B A:Hem142 3.03 Fe NB A:Hem142 1.98 Fe FE A:Hem142 0.00 Fe C3C A:Hem142 4.29 Fe C3B A:Hem142 4.27 Fe C4D A:Hem142 3.03 Fe C1A A:Hem142 2.99 Fe O A:Cmo143 2.84 Fe C A:Cmo143 1.79 interactive model: Iron binding site 2 out of 4 in 1jeb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1jeb. 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: Cmo148, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.34 Fe CG2 B:Val67 4.55 Fe NE2 B:His92 2.52 Fe ND1 B:His92 4.67 Fe CD2 B:His92 3.19 Fe CE1 B:His92 3.69 Fe CG B:His92 4.47 Fe C2D B:Hem147 4.36 Fe NC B:Hem147 2.01 Fe CHB B:Hem147 3.42 Fe CHC B:Hem147 3.44 Fe C3D B:Hem147 4.30 Fe NA B:Hem147 1.97 Fe CHA B:Hem147 3.37 Fe C2A B:Hem147 4.30 Fe C1D B:Hem147 3.12 Fe C4A B:Hem147 3.06 Fe C4B B:Hem147 3.05 Fe C3A B:Hem147 4.31 Fe C4C B:Hem147 3.10 Fe C2B B:Hem147 4.28 Fe C1C B:Hem147 3.08 Fe C2C B:Hem147 4.35 Fe ND B:Hem147 2.00 Fe CHD B:Hem147 3.49 Fe C1B B:Hem147 3.04 Fe NB B:Hem147 1.98 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.35 Fe C3B B:Hem147 4.28 Fe C4D B:Hem147 3.03 Fe C1A B:Hem147 3.02 Fe O B:Cmo148 2.75 Fe C B:Cmo148 1.70 interactive model: Iron binding site 3 out of 4 in 1jeb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1jeb. 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: Hem142, C: Cmo143, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.56 Fe CE1 C:His58 4.40 Fe CG2 C:Val62 4.91 Fe NE2 C:His87 2.17 Fe ND1 C:His87 4.27 Fe CD2 C:His87 3.12 Fe CE1 C:His87 3.18 Fe CG C:His87 4.28 Fe C2D C:Hem142 4.37 Fe NC C:Hem142 2.00 Fe CHB C:Hem142 3.42 Fe CHC C:Hem142 3.40 Fe C3D C:Hem142 4.32 Fe NA C:Hem142 1.96 Fe CHA C:Hem142 3.31 Fe C2A C:Hem142 4.26 Fe C1D C:Hem142 3.12 Fe C4A C:Hem142 3.05 Fe C4B C:Hem142 3.04 Fe C3A C:Hem142 4.28 Fe C4C C:Hem142 3.09 Fe C2B C:Hem142 4.29 Fe C1C C:Hem142 3.05 Fe C2C C:Hem142 4.33 Fe ND C:Hem142 2.01 Fe CHD C:Hem142 3.49 Fe C1B C:Hem142 3.04 Fe NB C:Hem142 1.99 Fe FE C:Hem142 0.00 Fe C3C C:Hem142 4.33 Fe C3B C:Hem142 4.29 Fe C4D C:Hem142 3.02 Fe C1A C:Hem142 2.98 Fe O C:Cmo143 2.90 Fe C C:Cmo143 1.83 interactive model: Iron binding site 4 out of 4 in 1jeb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1jeb. 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 4.27 Fe CE1 D:His63 4.89 Fe CG2 D:Val67 4.80 Fe NE2 D:His92 2.19 Fe ND1 D:His92 4.23 Fe CD2 D:His92 3.15 Fe CE1 D:His92 3.13 Fe CG D:His92 4.27 Fe C2D D:Hem147 4.32 Fe NC D:Hem147 2.02 Fe CHB D:Hem147 3.45 Fe CHC D:Hem147 3.40 Fe C3D D:Hem147 4.26 Fe NA D:Hem147 1.97 Fe CHA D:Hem147 3.35 Fe C2A D:Hem147 4.27 Fe C1D D:Hem147 3.10 Fe C4A D:Hem147 3.07 Fe C4B D:Hem147 3.02 Fe C3A D:Hem147 4.30 Fe C4C D:Hem147 3.10 Fe C2B D:Hem147 4.28 Fe C1C D:Hem147 3.06 Fe C2C D:Hem147 4.33 Fe ND D:Hem147 1.98 Fe CHD D:Hem147 3.48 Fe C1B D:Hem147 3.05 Fe NB D:Hem147 1.97 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.34 Fe C3B D:Hem147 4.26 Fe C4D D:Hem147 3.00 Fe C1A D:Hem147 3.00 Fe O D:Cmo148 2.92 Fe C D:Cmo148 1.87 interactive model: