Iron in the structure of Structure of Cytochrome C Oxidase From Rhodobactor Sphaeroides (Wild Type) (pdb 1m56)

The binding sites of Iron atom in the structure of Structure of Cytochrome C Oxidase From Rhodobactor Sphaeroides (Wild Type) (pdb code 1m56). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1m56 structure was solved by M.SVENSSON-EK, J.ABRAMSON, G.LARSSON, S.TORNROTH, P.BREZEZINSKI, S.IWATA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.3 Space group H3 a (A) 340.360 b (A) 340.360 c (A) 89.668 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 23.6 Rfree (%) 27.5 Iron Binding Sites: Iron binding site 1 out of 4 in 1m56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1m56. 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: His102, A: His421, A: Hea1001, conact list: Atom Atom Distance (A) Fe NE2 A:His102 2.06 Fe ND1 A:His102 4.17 Fe CD2 A:His102 2.75 Fe CE1 A:His102 3.21 Fe CG A:His102 3.99 Fe NE2 A:His421 2.08 Fe ND1 A:His421 4.19 Fe CD2 A:His421 3.10 Fe CE1 A:His421 3.05 Fe CG A:His421 4.27 Fe C2D A:Hea1001 4.13 Fe NC A:Hea1001 2.01 Fe CHB A:Hea1001 3.44 Fe CHC A:Hea1001 3.51 Fe C3D A:Hea1001 4.09 Fe NA A:Hea1001 1.90 Fe CHA A:Hea1001 3.23 Fe C2A A:Hea1001 4.14 Fe C4B A:Hea1001 3.12 Fe C4A A:Hea1001 2.98 Fe C1D A:Hea1001 2.90 Fe C3A A:Hea1001 4.19 Fe C4C A:Hea1001 3.03 Fe C2B A:Hea1001 4.38 Fe C1C A:Hea1001 3.12 Fe C2C A:Hea1001 4.34 Fe ND A:Hea1001 1.85 Fe CHD A:Hea1001 3.32 Fe C1B A:Hea1001 3.11 Fe NB A:Hea1001 2.04 Fe FE A:Hea1001 0.00 Fe C3B A:Hea1001 4.39 Fe C3C A:Hea1001 4.31 Fe C4D A:Hea1001 2.86 Fe C1A A:Hea1001 2.90 interactive model: Iron binding site 2 out of 4 in 1m56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1m56. 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: His419, A: Cu1005, A: Hea1002, conact list: Atom Atom Distance (A) Fe NE2 A:His419 2.24 Fe ND1 A:His419 4.18 Fe CD2 A:His419 3.32 Fe CE1 A:His419 3.02 Fe CG A:His419 4.38 Fe CU A:Cu1005 4.82 Fe C2D A:Hea1002 4.15 Fe NC A:Hea1002 1.97 Fe CHB A:Hea1002 3.40 Fe CHC A:Hea1002 3.50 Fe C3D A:Hea1002 4.12 Fe NA A:Hea1002 1.91 Fe CHA A:Hea1002 3.23 Fe C2A A:Hea1002 4.17 Fe C4B A:Hea1002 3.10 Fe C4A A:Hea1002 3.00 Fe C1D A:Hea1002 2.91 Fe C3A A:Hea1002 4.21 Fe C4C A:Hea1002 2.98 Fe C2B A:Hea1002 4.33 Fe C1C A:Hea1002 3.08 Fe C2C A:Hea1002 4.30 Fe ND A:Hea1002 1.85 Fe CHD A:Hea1002 3.32 Fe C1B A:Hea1002 3.08 Fe NB A:Hea1002 2.02 Fe FE A:Hea1002 0.00 Fe C3B A:Hea1002 4.35 Fe C3C A:Hea1002 4.28 Fe C4D A:Hea1002 2.86 Fe C1A A:Hea1002 2.90 interactive model: Iron binding site 3 out of 4 in 1m56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1m56. 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: G: His102, G: His421, G: Hea1001, conact list: Atom Atom Distance (A) Fe NE2 G:His102 2.09 Fe ND1 G:His102 4.18 Fe CD2 G:His102 2.74 Fe CE1 G:His102 3.23 Fe CG G:His102 3.99 Fe NE2 G:His421 2.20 Fe ND1 G:His421 4.22 Fe CD2 G:His421 3.14 Fe CE1 G:His421 3.14 Fe CG G:His421 4.28 Fe C2D G:Hea1001 4.16 Fe NC G:Hea1001 1.97 Fe CHB G:Hea1001 3.45 Fe CHC G:Hea1001 3.45 Fe C3D G:Hea1001 4.13 Fe NA G:Hea1001 1.92 Fe CHA G:Hea1001 3.25 Fe C2A G:Hea1001 4.19 Fe C4B G:Hea1001 3.09 Fe C4A G:Hea1001 3.00 Fe C1D G:Hea1001 2.90 Fe C3A G:Hea1001 4.22 Fe C4C G:Hea1001 3.02 Fe C2B G:Hea1001 4.36 Fe C1C G:Hea1001 3.05 Fe C2C G:Hea1001 4.29 Fe ND G:Hea1001 1.87 Fe CHD G:Hea1001 3.34 Fe C1B G:Hea1001 3.09 Fe NB G:Hea1001 2.01 Fe FE G:Hea1001 0.00 Fe C3B G:Hea1001 4.36 Fe C3C G:Hea1001 4.30 Fe C4D G:Hea1001 2.89 Fe C1A G:Hea1001 2.93 interactive model: Iron binding site 4 out of 4 in 1m56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1m56. 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: G: His419, G: Cu1005, G: Hea1002, conact list: Atom Atom Distance (A) Fe NE2 G:His419 2.13 Fe ND1 G:His419 4.16 Fe CD2 G:His419 3.21 Fe CE1 G:His419 3.01 Fe CG G:His419 4.27 Fe CU G:Cu1005 4.64 Fe C2D G:Hea1002 4.14 Fe NC G:Hea1002 1.99 Fe CHB G:Hea1002 3.33 Fe CHC G:Hea1002 3.57 Fe C3D G:Hea1002 4.12 Fe NA G:Hea1002 1.92 Fe CHA G:Hea1002 3.34 Fe C2A G:Hea1002 4.19 Fe C4B G:Hea1002 3.08 Fe C4A G:Hea1002 2.97 Fe C1D G:Hea1002 2.92 Fe C3A G:Hea1002 4.18 Fe C4C G:Hea1002 2.97 Fe C2B G:Hea1002 4.31 Fe C1C G:Hea1002 3.10 Fe C2C G:Hea1002 4.28 Fe ND G:Hea1002 1.88 Fe CHD G:Hea1002 3.34 Fe C1B G:Hea1002 3.05 Fe NB G:Hea1002 2.00 Fe FE G:Hea1002 0.00 Fe C3B G:Hea1002 4.32 Fe C3C G:Hea1002 4.26 Fe C4D G:Hea1002 2.87 Fe C1A G:Hea1002 2.96 interactive model: