Iron in the structure of Cross-Linked, Carbonmonoxy Hemoglobin A (pdb 1sdk)

The binding sites of Iron atom in the structure of Cross-Linked, Carbonmonoxy Hemoglobin A (pdb code 1sdk). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1sdk structure was solved by M.A.SCHUMACHER, M.M.DIXON, R.KLUGER, R.T.JONES, R.G.BRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.8 Space group C121 a (A) 104.430 b (A) 72.160 c (A) 88.030 alpha (°) 90.00 beta (°) 108.25 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Iron Binding Sites: Iron binding site 1 out of 4 in 1sdk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1sdk. 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: Hem200, A: Cmo201, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.24 Fe CG2 A:Val62 4.86 Fe NE2 A:His87 2.04 Fe ND1 A:His87 4.09 Fe CD2 A:His87 3.13 Fe CE1 A:His87 2.91 Fe CG A:His87 4.22 Fe C2D A:Hem200 4.25 Fe NC A:Hem200 2.01 Fe CHB A:Hem200 3.48 Fe CHC A:Hem200 3.42 Fe C3D A:Hem200 4.27 Fe NA A:Hem200 2.05 Fe CHA A:Hem200 3.38 Fe C2A A:Hem200 4.32 Fe C1D A:Hem200 3.00 Fe C4A A:Hem200 3.13 Fe C4B A:Hem200 3.04 Fe C3A A:Hem200 4.34 Fe C4C A:Hem200 3.03 Fe C2B A:Hem200 4.24 Fe C1C A:Hem200 3.06 Fe C2C A:Hem200 4.29 Fe ND A:Hem200 1.98 Fe CHD A:Hem200 3.35 Fe C1B A:Hem200 3.03 Fe NB A:Hem200 2.02 Fe FE A:Hem200 0.00 Fe C3C A:Hem200 4.26 Fe C3B A:Hem200 4.25 Fe C4D A:Hem200 3.04 Fe C1A A:Hem200 3.07 Fe O A:Cmo201 2.85 Fe C A:Cmo201 1.69 interactive model: Iron binding site 2 out of 4 in 1sdk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1sdk. 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: Hem200, B: Cmo201, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.41 Fe CG2 B:Val67 4.62 Fe NE2 B:His92 2.05 Fe ND1 B:His92 3.97 Fe CD2 B:His92 3.25 Fe CE1 B:His92 2.75 Fe CG B:His92 4.24 Fe C2D B:Hem200 4.22 Fe NC B:Hem200 2.04 Fe CHB B:Hem200 3.38 Fe CHC B:Hem200 3.43 Fe C3D B:Hem200 4.18 Fe NA B:Hem200 2.06 Fe CHA B:Hem200 3.45 Fe C2A B:Hem200 4.31 Fe C1D B:Hem200 2.97 Fe C4A B:Hem200 3.06 Fe C4B B:Hem200 3.07 Fe C3A B:Hem200 4.32 Fe C4C B:Hem200 3.02 Fe C2B B:Hem200 4.22 Fe C1C B:Hem200 3.05 Fe C2C B:Hem200 4.26 Fe ND B:Hem200 1.92 Fe CHD B:Hem200 3.35 Fe C1B B:Hem200 3.01 Fe NB B:Hem200 2.02 Fe FE B:Hem200 0.00 Fe C3C B:Hem200 4.25 Fe C3B B:Hem200 4.26 Fe C4D B:Hem200 3.00 Fe C1A B:Hem200 3.10 Fe O B:Cmo201 2.62 Fe C B:Cmo201 1.73 interactive model: Iron binding site 3 out of 4 in 1sdk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1sdk. 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: Hem200, C: Cmo201, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.41 Fe CG2 C:Val62 4.92 Fe NE2 C:His87 1.93 Fe ND1 C:His87 4.02 Fe CD2 C:His87 2.94 Fe CE1 C:His87 2.90 Fe CG C:His87 4.08 Fe C2D C:Hem200 4.25 Fe NC C:Hem200 2.04 Fe CHB C:Hem200 3.38 Fe CHC C:Hem200 3.43 Fe C3D C:Hem200 4.20 Fe NA C:Hem200 2.02 Fe CHA C:Hem200 3.40 Fe C2A C:Hem200 4.22 Fe C1D C:Hem200 3.06 Fe C4A C:Hem200 3.05 Fe C4B C:Hem200 3.06 Fe C3A C:Hem200 4.29 Fe C4C C:Hem200 3.09 Fe C2B C:Hem200 4.31 Fe C1C C:Hem200 3.07 Fe C2C C:Hem200 4.32 Fe ND C:Hem200 2.01 Fe CHD C:Hem200 3.49 Fe C1B C:Hem200 3.06 Fe NB C:Hem200 2.04 Fe FE C:Hem200 0.00 Fe C3C C:Hem200 4.30 Fe C3B C:Hem200 4.28 Fe C4D C:Hem200 3.02 Fe C1A C:Hem200 3.02 Fe O C:Cmo201 2.94 Fe C C:Cmo201 1.78 interactive model: Iron binding site 4 out of 4 in 1sdk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1sdk. 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: Hem200, D: Cmo201, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.39 Fe CG2 D:Val67 4.80 Fe NE2 D:His92 2.06 Fe ND1 D:His92 4.10 Fe CD2 D:His92 3.17 Fe CE1 D:His92 2.91 Fe CG D:His92 4.25 Fe C2D D:Hem200 4.23 Fe NC D:Hem200 2.06 Fe CHB D:Hem200 3.43 Fe CHC D:Hem200 3.36 Fe C3D D:Hem200 4.21 Fe NA D:Hem200 2.07 Fe CHA D:Hem200 3.45 Fe C2A D:Hem200 4.32 Fe C1D D:Hem200 3.00 Fe C4A D:Hem200 3.11 Fe C4B D:Hem200 3.06 Fe C3A D:Hem200 4.36 Fe C4C D:Hem200 3.10 Fe C2B D:Hem200 4.27 Fe C1C D:Hem200 3.08 Fe C2C D:Hem200 4.34 Fe ND D:Hem200 1.97 Fe CHD D:Hem200 3.41 Fe C1B D:Hem200 3.03 Fe NB D:Hem200 2.01 Fe FE D:Hem200 0.00 Fe C3C D:Hem200 4.33 Fe C3B D:Hem200 4.31 Fe C4D D:Hem200 3.02 Fe C1A D:Hem200 3.12 Fe O D:Cmo201 2.66 Fe C D:Cmo201 1.65 interactive model: