Iron in the structure of Crystal Structure of the Rieske-Type Ferredoxin Associated With Biphenyl Dioxygenase (pdb 1fqt)

The binding sites of Iron atom in the structure of Crystal Structure of the Rieske-Type Ferredoxin Associated With Biphenyl Dioxygenase (pdb code 1fqt). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1fqt structure was solved by C.L.COLBERT, M.M.-J.COUTURE, L.D.ELTIS, J.T.BOLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.0-1.6 Space group P21212 a (A) 76.400 b (A) 53.100 c (A) 64.700 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 20 Iron Binding Sites: Iron binding site 1 out of 4 in 1fqt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1fqt. 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: Cys43, A: His45, A: Gly46, A: Cys63, A: Leu65, A: His66, A: Pro82, A: Fes1001, conact list: Atom Atom Distance (A) Fe CB A:Cys43 3.17 Fe SG A:Cys43 2.28 Fe CA A:Cys43 4.62 Fe N A:His45 4.79 Fe CB A:His45 4.07 Fe ND1 A:His45 4.32 Fe C A:His45 4.78 Fe CG A:His45 4.69 Fe CA A:His45 4.78 Fe N A:Gly46 4.82 Fe CB A:Cys63 3.12 Fe SG A:Cys63 2.30 Fe CA A:Cys63 4.57 Fe CB A:Leu65 4.65 Fe N A:His66 4.51 Fe ND1 A:His66 4.38 Fe CG A:Pro82 4.74 Fe S1 A:Fes1001 2.18 Fe S2 A:Fes1001 2.21 Fe FE1 A:Fes1001 0.00 Fe FE2 A:Fes1001 2.67 interactive model: Iron binding site 2 out of 4 in 1fqt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1fqt. 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: Cys43, A: His45, A: Gly46, A: Cys63, A: Leu65, A: His66, A: Pro81, A: Fes1001, A: Hoh305, conact list: Atom Atom Distance (A) Fe SG A:Cys43 4.38 Fe O A:His45 4.10 Fe NE2 A:His45 4.18 Fe CB A:His45 3.44 Fe ND1 A:His45 2.10 Fe CD2 A:His45 4.23 Fe C A:His45 4.24 Fe CE1 A:His45 3.05 Fe CG A:His45 3.12 Fe CA A:His45 4.45 Fe N A:Gly46 4.86 Fe SG A:Cys63 4.44 Fe CB A:Leu65 4.69 Fe CD2 A:Leu65 4.66 Fe C A:Leu65 4.98 Fe CG A:Leu65 4.70 Fe NE2 A:His66 4.16 Fe N A:His66 4.07 Fe CB A:His66 3.46 Fe ND1 A:His66 2.08 Fe CD2 A:His66 4.22 Fe CE1 A:His66 3.02 Fe CG A:His66 3.12 Fe CA A:His66 4.30 Fe CB A:Pro81 4.73 Fe CG A:Pro81 4.91 Fe S1 A:Fes1001 2.17 Fe S2 A:Fes1001 2.22 Fe FE1 A:Fes1001 2.67 Fe FE2 A:Fes1001 0.00 Fe O A:Hoh305 4.28 interactive model: Iron binding site 3 out of 4 in 1fqt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1fqt. 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: Cys43, B: His45, B: Gly46, B: Trp48, B: Cys63, B: Leu65, B: His66, B: Pro82, B: Fes2002, conact list: Atom Atom Distance (A) Fe CB B:Cys43 3.19 Fe SG B:Cys43 2.28 Fe CA B:Cys43 4.64 Fe N B:His45 4.80 Fe CB B:His45 4.12 Fe ND1 B:His45 4.29 Fe C B:His45 4.76 Fe CG B:His45 4.70 Fe CA B:His45 4.78 Fe N B:Gly46 4.75 Fe CB B:Trp48 4.96 Fe CB B:Cys63 3.14 Fe SG B:Cys63 2.31 Fe CA B:Cys63 4.59 Fe CB B:Leu65 4.68 Fe N B:His66 4.62 Fe ND1 B:His66 4.37 Fe CG B:Pro82 4.78 Fe S1 B:Fes2002 2.19 Fe S2 B:Fes2002 2.19 Fe FE1 B:Fes2002 0.00 Fe FE2 B:Fes2002 2.66 interactive model: Iron binding site 4 out of 4 in 1fqt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1fqt. 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: Cys43, B: His45, B: Gly46, B: Cys63, B: Leu65, B: His66, B: Pro81, B: Fes2002, B: Hoh314, conact list: Atom Atom Distance (A) Fe SG B:Cys43 4.37 Fe O B:His45 4.09 Fe NE2 B:His45 4.15 Fe CB B:His45 3.49 Fe ND1 B:His45 2.09 Fe CD2 B:His45 4.23 Fe C B:His45 4.20 Fe CE1 B:His45 3.00 Fe CG B:His45 3.12 Fe CA B:His45 4.44 Fe N B:Gly46 4.76 Fe SG B:Cys63 4.45 Fe CB B:Leu65 4.71 Fe CD2 B:Leu65 4.68 Fe CG B:Leu65 4.75 Fe NE2 B:His66 4.14 Fe N B:His66 4.18 Fe CB B:His66 3.49 Fe ND1 B:His66 2.07 Fe CD2 B:His66 4.22 Fe CE1 B:His66 3.00 Fe CG B:His66 3.12 Fe CA B:His66 4.41 Fe CB B:Pro81 4.80 Fe CG B:Pro81 4.94 Fe S1 B:Fes2002 2.17 Fe S2 B:Fes2002 2.19 Fe FE1 B:Fes2002 2.66 Fe FE2 B:Fes2002 0.00 Fe O B:Hoh314 4.34 interactive model: