Iron in the structure of Structure Determination of the Ferrocytochrome C2 From Rhodopseudomonas Palustris (pdb 1i8p)

The binding sites of Iron atom in the structure of Structure Determination of the Ferrocytochrome C2 From Rhodopseudomonas Palustris (pdb code 1i8p). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1i8p structure was solved by G.GARAU, S.GEREMIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P1211 a (A) 50.119 b (A) 71.706 c (A) 67.357 alpha (°) 90.00 beta (°) 93.67 gamma (°) 90.00 Rfactor (%) 16.1 Rfree (%) 23.7 Iron Binding Sites: Iron binding site 1 out of 4 in 1i8p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1i8p. 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: His17, A: Tyr66, A: Met93, A: Hec115, conact list: Atom Atom Distance (A) Fe NE2 A:His17 1.96 Fe ND1 A:His17 4.08 Fe CD2 A:His17 3.01 Fe CE1 A:His17 2.94 Fe CG A:His17 4.14 Fe OH A:Tyr66 5.00 Fe CB A:Met93 4.26 Fe CE A:Met93 3.44 Fe CG A:Met93 3.47 Fe SD A:Met93 2.41 Fe C2D A:Hec115 4.22 Fe NC A:Hec115 2.04 Fe CHB A:Hec115 3.51 Fe CHC A:Hec115 3.48 Fe C3D A:Hec115 4.23 Fe NA A:Hec115 2.05 Fe CHA A:Hec115 3.41 Fe C2A A:Hec115 4.28 Fe C1D A:Hec115 2.99 Fe C4A A:Hec115 3.10 Fe C4B A:Hec115 3.07 Fe C3A A:Hec115 4.31 Fe C4C A:Hec115 3.04 Fe C2B A:Hec115 4.27 Fe C1C A:Hec115 3.09 Fe C2C A:Hec115 4.30 Fe ND A:Hec115 1.94 Fe CHD A:Hec115 3.36 Fe C1B A:Hec115 3.08 Fe NB A:Hec115 2.07 Fe FE A:Hec115 0.00 Fe C3C A:Hec115 4.28 Fe C3B A:Hec115 4.29 Fe C4D A:Hec115 3.04 Fe C1A A:Hec115 3.05 interactive model: Iron binding site 2 out of 4 in 1i8p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1i8p. 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: His17, B: Tyr66, B: Met93, B: Hec115, conact list: Atom Atom Distance (A) Fe NE2 B:His17 2.02 Fe ND1 B:His17 4.10 Fe CD2 B:His17 3.08 Fe CE1 B:His17 2.96 Fe CG B:His17 4.19 Fe OH B:Tyr66 4.97 Fe CB B:Met93 4.25 Fe CE B:Met93 3.29 Fe CG B:Met93 3.44 Fe SD B:Met93 2.34 Fe C2D B:Hec115 4.27 Fe NC B:Hec115 2.04 Fe CHB B:Hec115 3.39 Fe CHC B:Hec115 3.40 Fe C3D B:Hec115 4.27 Fe NA B:Hec115 2.04 Fe CHA B:Hec115 3.39 Fe C2A B:Hec115 4.28 Fe C1D B:Hec115 3.01 Fe C4A B:Hec115 3.03 Fe C4B B:Hec115 3.05 Fe C3A B:Hec115 4.28 Fe C4C B:Hec115 3.08 Fe C2B B:Hec115 4.29 Fe C1C B:Hec115 3.05 Fe C2C B:Hec115 4.30 Fe ND B:Hec115 1.98 Fe CHD B:Hec115 3.41 Fe C1B B:Hec115 3.07 Fe NB B:Hec115 2.04 Fe FE B:Hec115 0.00 Fe C3C B:Hec115 4.32 Fe C3B B:Hec115 4.31 Fe C4D B:Hec115 3.04 Fe C1A B:Hec115 3.05 interactive model: Iron binding site 3 out of 4 in 1i8p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1i8p. 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: His17, C: Tyr66, C: Met93, C: Hec115, conact list: Atom Atom Distance (A) Fe NE2 C:His17 2.02 Fe ND1 C:His17 4.12 Fe CD2 C:His17 3.07 Fe CE1 C:His17 2.98 Fe CG C:His17 4.19 Fe OH C:Tyr66 4.92 Fe CB C:Met93 4.24 Fe CE C:Met93 3.47 Fe CG C:Met93 3.35 Fe SD C:Met93 2.38 Fe C2D C:Hec115 4.21 Fe NC C:Hec115 2.03 Fe CHB C:Hec115 3.44 Fe CHC C:Hec115 3.47 Fe C3D C:Hec115 4.22 Fe NA C:Hec115 2.04 Fe CHA C:Hec115 3.47 Fe C2A C:Hec115 4.30 Fe C1D C:Hec115 2.99 Fe C4A C:Hec115 3.08 Fe C4B C:Hec115 3.07 Fe C3A C:Hec115 4.31 Fe C4C C:Hec115 3.03 Fe C2B C:Hec115 4.29 Fe C1C C:Hec115 3.07 Fe C2C C:Hec115 4.29 Fe ND C:Hec115 1.96 Fe CHD C:Hec115 3.39 Fe C1B C:Hec115 3.06 Fe NB C:Hec115 2.07 Fe FE C:Hec115 0.00 Fe C3C C:Hec115 4.28 Fe C3B C:Hec115 4.30 Fe C4D C:Hec115 3.04 Fe C1A C:Hec115 3.06 interactive model: Iron binding site 4 out of 4 in 1i8p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1i8p. 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: His17, D: Tyr66, D: Met93, D: Hec115, conact list: Atom Atom Distance (A) Fe NE2 D:His17 1.96 Fe ND1 D:His17 4.07 Fe CD2 D:His17 3.01 Fe CE1 D:His17 2.93 Fe CG D:His17 4.14 Fe OH D:Tyr66 4.99 Fe CB D:Met93 4.28 Fe CE D:Met93 3.44 Fe CG D:Met93 3.44 Fe SD D:Met93 2.44 Fe C2D D:Hec115 4.24 Fe NC D:Hec115 2.03 Fe CHB D:Hec115 3.50 Fe CHC D:Hec115 3.41 Fe C3D D:Hec115 4.26 Fe NA D:Hec115 2.11 Fe CHA D:Hec115 3.38 Fe C2A D:Hec115 4.30 Fe C1D D:Hec115 2.99 Fe C4A D:Hec115 3.09 Fe C4B D:Hec115 3.05 Fe C3A D:Hec115 4.32 Fe C4C D:Hec115 3.02 Fe C2B D:Hec115 4.33 Fe C1C D:Hec115 3.05 Fe C2C D:Hec115 4.27 Fe ND D:Hec115 1.95 Fe CHD D:Hec115 3.39 Fe C1B D:Hec115 3.11 Fe NB D:Hec115 2.03 Fe FE D:Hec115 0.00 Fe C3C D:Hec115 4.27 Fe C3B D:Hec115 4.30 Fe C4D D:Hec115 3.01 Fe C1A D:Hec115 3.05 interactive model: