Iron in the structure of Structure of Bovine Mitochondrial Cytochrome BC1 Complex With A Bound Fungicide Famoxadone (pdb 1l0l)

The binding sites of Iron atom in the structure of Structure of Bovine Mitochondrial Cytochrome BC1 Complex With A Bound Fungicide Famoxadone (pdb code 1l0l). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1l0l structure was solved by X.GAO, X.WEN, C.A.YU, L.ESSER, S.TSAO, B.QUINN, L.ZHANG, L.YU, D.XIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.4 Space group I4122 a (A) 154.094 b (A) 154.094 c (A) 591.839 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 25.9 Rfree (%) 30.6 Iron Binding Sites: Iron binding site 1 out of 5 in 1l0l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1l0l. 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: His97, C: His196, C: Hem609, conact list: Atom Atom Distance (A) Fe NE2 C:His97 2.24 Fe ND1 C:His97 4.39 Fe CD2 C:His97 2.95 Fe CE1 C:His97 3.41 Fe CG C:His97 4.22 Fe NE2 C:His196 2.16 Fe ND1 C:His196 4.28 Fe CD2 C:His196 3.04 Fe CE1 C:His196 3.22 Fe CG C:His196 4.24 Fe C2D C:Hem609 4.15 Fe NC C:Hem609 2.02 Fe CHB C:Hem609 3.60 Fe CHC C:Hem609 3.64 Fe C3D C:Hem609 4.21 Fe NA C:Hem609 2.13 Fe CHA C:Hem609 3.62 Fe C2A C:Hem609 4.38 Fe C1D C:Hem609 3.05 Fe C4A C:Hem609 3.08 Fe C4B C:Hem609 3.09 Fe C3A C:Hem609 4.37 Fe C4C C:Hem609 3.08 Fe C2B C:Hem609 4.16 Fe C1C C:Hem609 3.10 Fe C2C C:Hem609 4.19 Fe ND C:Hem609 1.98 Fe CHD C:Hem609 3.58 Fe C1B C:Hem609 3.07 Fe NB C:Hem609 2.01 Fe FE C:Hem609 0.00 Fe C3C C:Hem609 4.19 Fe C3B C:Hem609 4.16 Fe C4D C:Hem609 3.09 Fe C1A C:Hem609 3.11 interactive model: Iron binding site 2 out of 5 in 1l0l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1l0l. 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: Gln44, C: Gly48, C: His83, C: Gly130, C: His182, C: Hem610, conact list: Atom Atom Distance (A) Fe OE1 C:Gln44 4.94 Fe CA C:Gly48 4.95 Fe NE2 C:His83 2.12 Fe ND1 C:His83 4.21 Fe CD2 C:His83 3.11 Fe CE1 C:His83 3.09 Fe CG C:His83 4.25 Fe CA C:Gly130 4.88 Fe NE2 C:His182 2.10 Fe ND1 C:His182 4.09 Fe CD2 C:His182 3.23 Fe CE1 C:His182 2.90 Fe CG C:His182 4.28 Fe C2D C:Hem610 4.21 Fe NC C:Hem610 2.00 Fe CHB C:Hem610 3.58 Fe CHC C:Hem610 3.64 Fe C3D C:Hem610 4.19 Fe NA C:Hem610 2.14 Fe CHA C:Hem610 3.60 Fe C2A C:Hem610 4.41 Fe C1D C:Hem610 3.10 Fe C4A C:Hem610 3.10 Fe C4B C:Hem610 3.08 Fe C3A C:Hem610 4.41 Fe C4C C:Hem610 3.07 Fe C2B C:Hem610 4.18 Fe C1C C:Hem610 3.09 Fe C2C C:Hem610 4.18 Fe ND C:Hem610 1.99 Fe CHD C:Hem610 3.64 Fe C1B C:Hem610 3.06 Fe NB C:Hem610 1.98 Fe FE C:Hem610 0.00 Fe C3C C:Hem610 4.16 Fe C3B C:Hem610 4.18 Fe C4D C:Hem610 3.07 Fe C1A C:Hem610 3.11 interactive model: Iron binding site 3 out of 5 in 1l0l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1l0l. 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: His41, D: Met160, D: Hem242, conact list: Atom Atom Distance (A) Fe NE2 D:His41 2.21 Fe ND1 D:His41 4.30 Fe CD2 D:His41 3.20 Fe CE1 D:His41 3.17 Fe CG D:His41 4.35 Fe CB D:Met160 4.19 Fe CE D:Met160 3.15 Fe CG D:Met160 3.54 Fe SD D:Met160 2.70 Fe C2D D:Hem242 4.24 Fe NC D:Hem242 1.95 Fe CHB D:Hem242 3.54 Fe CHC D:Hem242 3.41 Fe C3D D:Hem242 4.25 Fe NA D:Hem242 2.08 Fe CHA D:Hem242 3.40 Fe C2A D:Hem242 4.32 Fe C1D D:Hem242 3.00 Fe C4A D:Hem242 3.13 Fe C4B D:Hem242 3.10 Fe C3A D:Hem242 4.33 Fe C4C D:Hem242 2.97 Fe C2B D:Hem242 4.35 Fe C1C D:Hem242 2.99 Fe C2C D:Hem242 4.20 Fe ND D:Hem242 2.01 Fe CHD D:Hem242 3.35 Fe C1B D:Hem242 3.15 Fe NB D:Hem242 2.12 Fe FE D:Hem242 0.00 Fe C3C D:Hem242 4.19 Fe C3B D:Hem242 4.34 Fe C4D D:Hem242 3.03 Fe C1A D:Hem242 3.08 interactive model: Iron binding site 4 out of 5 in 1l0l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1l0l. 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: E: Cys139, E: His141, E: Leu142, E: Cys144, E: Cys158, E: Pro159, E: Cys160, E: His161, E: Ser163, E: Fes197, conact list: Atom Atom Distance (A) Fe CB E:Cys139 3.73 Fe SG E:Cys139 2.68 Fe CB E:His141 4.15 Fe ND1 E:His141 4.51 Fe CG E:His141 4.78 Fe N E:Leu142 4.73 Fe O E:Cys144 4.10 Fe N E:Cys144 4.49 Fe CB E:Cys144 3.52 Fe SG E:Cys144 4.14 Fe C E:Cys144 4.80 Fe CA E:Cys144 4.52 Fe O E:Cys158 4.75 Fe CB E:Cys158 3.37 Fe SG E:Cys158 2.04 Fe C E:Cys158 4.68 Fe CA E:Cys158 4.62 Fe O E:Pro159 3.98 Fe C E:Pro159 4.84 Fe CB E:Cys160 4.78 Fe NE2 E:His161 4.54 Fe CE1 E:His161 4.65 Fe CB E:Ser163 4.56 Fe S1 E:Fes197 2.19 Fe S2 E:Fes197 2.23 Fe FE1 E:Fes197 0.00 Fe FE2 E:Fes197 2.69 interactive model: Iron binding site 5 out of 5 in 1l0l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1l0l. 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: E: Cys139, E: His141, E: Leu142, E: Cys144, E: Cys158, E: Pro159, E: His161, E: Gly162, E: Fes197, conact list: Atom Atom Distance (A) Fe SG E:Cys139 4.66 Fe NE2 E:His141 4.36 Fe CB E:His141 3.58 Fe ND1 E:His141 2.37 Fe CD2 E:His141 4.39 Fe C E:His141 4.92 Fe CE1 E:His141 3.28 Fe CG E:His141 3.29 Fe CA E:His141 4.86 Fe N E:Leu142 4.23 Fe CB E:Leu142 4.43 Fe CD1 E:Leu142 4.14 Fe CG E:Leu142 4.33 Fe CA E:Leu142 4.96 Fe CB E:Cys144 4.97 Fe SG E:Cys144 4.57 Fe SG E:Cys158 4.50 Fe O E:Pro159 4.45 Fe NE2 E:His161 2.08 Fe CB E:His161 4.92 Fe ND1 E:His161 3.09 Fe CD2 E:His161 3.06 Fe CE1 E:His161 2.14 Fe CG E:His161 3.55 Fe N E:Gly162 4.89 Fe S1 E:Fes197 2.17 Fe S2 E:Fes197 2.23 Fe FE1 E:Fes197 2.69 Fe FE2 E:Fes197 0.00 interactive model: