Iron in the structure of Crystallographic Analysis Of the Interaction of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed to No Under Anerobic Conditions (pdb 1rps)

The binding sites of Iron atom in the structure of Crystallographic Analysis Of the Interaction of Nitric Oxide With Quaternary-T Human Hemoglobin. Hemoglobin Exposed to No Under Anerobic Conditions (pdb code 1rps). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1rps structure was solved by N.-L.CHAN, J.S.KAVANAUGH, P.H.ROGERS, A.ARNONE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.1 Space group P21212 a (A) 97.000 b (A) 99.300 c (A) 66.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.1 Rfree (%) 23.2 Iron Binding Sites: Iron binding site 1 out of 4 in 1rps Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1rps. 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: Leu91, A: Hem142, A: No150, conact list: Atom Atom Distance (A) Fe NE2 A:His58 4.12 Fe CE1 A:His58 4.91 Fe CG2 A:Val62 4.80 Fe NE2 A:His87 4.14 Fe CE1 A:His87 3.86 Fe CD1 A:Leu91 4.78 Fe C2D A:Hem142 4.23 Fe NC A:Hem142 2.02 Fe CHB A:Hem142 3.48 Fe CHC A:Hem142 3.45 Fe C3D A:Hem142 4.26 Fe NA A:Hem142 2.03 Fe CHA A:Hem142 3.36 Fe C2A A:Hem142 4.23 Fe C1D A:Hem142 2.98 Fe C4A A:Hem142 3.09 Fe C4B A:Hem142 3.08 Fe C3A A:Hem142 4.28 Fe C4C A:Hem142 2.99 Fe C2B A:Hem142 4.33 Fe C1C A:Hem142 3.07 Fe C2C A:Hem142 4.25 Fe ND A:Hem142 1.98 Fe CHD A:Hem142 3.33 Fe C1B A:Hem142 3.10 Fe NB A:Hem142 2.06 Fe FE A:Hem142 0.00 Fe C3C A:Hem142 4.21 Fe C3B A:Hem142 4.31 Fe C4D A:Hem142 3.01 Fe C1A A:Hem142 3.01 Fe O A:No150 2.73 Fe N A:No150 1.72 interactive model: Iron binding site 2 out of 4 in 1rps Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1rps. 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: No150, conact list: Atom Atom Distance (A) Fe NE2 B:His63 4.26 Fe CG2 B:Val67 4.49 Fe NE2 B:His92 2.25 Fe ND1 B:His92 4.29 Fe CD2 B:His92 3.31 Fe CE1 B:His92 3.12 Fe CG B:His92 4.41 Fe C2D B:Hem147 4.23 Fe NC B:Hem147 1.96 Fe CHB B:Hem147 3.48 Fe CHC B:Hem147 3.31 Fe C3D B:Hem147 4.25 Fe NA B:Hem147 2.05 Fe CHA B:Hem147 3.40 Fe C2A B:Hem147 4.29 Fe C1D B:Hem147 2.98 Fe C4A B:Hem147 3.10 Fe C4B B:Hem147 2.99 Fe C3A B:Hem147 4.30 Fe C4C B:Hem147 2.94 Fe C2B B:Hem147 4.31 Fe C1C B:Hem147 2.95 Fe C2C B:Hem147 4.14 Fe ND B:Hem147 1.99 Fe CHD B:Hem147 3.32 Fe C1B B:Hem147 3.09 Fe NB B:Hem147 2.01 Fe FE B:Hem147 0.00 Fe C3C B:Hem147 4.13 Fe C3B B:Hem147 4.25 Fe C4D B:Hem147 3.04 Fe C1A B:Hem147 3.05 Fe O B:No150 2.69 Fe N B:No150 1.75 interactive model: Iron binding site 3 out of 4 in 1rps Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1rps. 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: Leu91, C: Hem142, C: No150, conact list: Atom Atom Distance (A) Fe NE2 C:His58 4.23 Fe CE1 C:His58 4.81 Fe CG2 C:Val62 4.77 Fe NE2 C:His87 3.97 Fe CE1 C:His87 3.84 Fe CD1 C:Leu91 4.96 Fe C2D C:Hem142 4.24 Fe NC C:Hem142 2.02 Fe CHB C:Hem142 3.42 Fe CHC C:Hem142 3.43 Fe C3D C:Hem142 4.24 Fe NA C:Hem142 2.07 Fe CHA C:Hem142 3.40 Fe C2A C:Hem142 4.26 Fe C1D C:Hem142 3.00 Fe C4A C:Hem142 3.08 Fe C4B C:Hem142 3.04 Fe C3A C:Hem142 4.27 Fe C4C C:Hem142 3.03 Fe C2B C:Hem142 4.23 Fe C1C C:Hem142 3.04 Fe C2C C:Hem142 4.24 Fe ND C:Hem142 1.99 Fe CHD C:Hem142 3.38 Fe C1B C:Hem142 3.02 Fe NB C:Hem142 2.01 Fe FE C:Hem142 0.00 Fe C3C C:Hem142 4.22 Fe C3B C:Hem142 4.25 Fe C4D C:Hem142 3.01 Fe C1A C:Hem142 3.06 Fe O C:No150 2.61 Fe N C:No150 1.72 interactive model: Iron binding site 4 out of 4 in 1rps Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1rps. 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: No150, conact list: Atom Atom Distance (A) Fe NE2 D:His63 4.52 Fe CG2 D:Val67 4.55 Fe NE2 D:His92 2.25 Fe ND1 D:His92 4.33 Fe CD2 D:His92 3.24 Fe CE1 D:His92 3.19 Fe CG D:His92 4.38 Fe C2D D:Hem147 4.20 Fe NC D:Hem147 2.01 Fe CHB D:Hem147 3.43 Fe CHC D:Hem147 3.39 Fe C3D D:Hem147 4.24 Fe NA D:Hem147 2.04 Fe CHA D:Hem147 3.40 Fe C2A D:Hem147 4.31 Fe C1D D:Hem147 2.95 Fe C4A D:Hem147 3.08 Fe C4B D:Hem147 3.02 Fe C3A D:Hem147 4.31 Fe C4C D:Hem147 3.00 Fe C2B D:Hem147 4.20 Fe C1C D:Hem147 3.02 Fe C2C D:Hem147 4.23 Fe ND D:Hem147 1.96 Fe CHD D:Hem147 3.32 Fe C1B D:Hem147 3.02 Fe NB D:Hem147 2.01 Fe FE D:Hem147 0.00 Fe C3C D:Hem147 4.22 Fe C3B D:Hem147 4.22 Fe C4D D:Hem147 3.01 Fe C1A D:Hem147 3.06 Fe O D:No150 2.54 Fe N D:No150 1.74 interactive model: