Iron in the structure of Crystal Structure of the Rieske Protein From Thermus Thermophilus (pdb 1nyk)

The binding sites of Iron atom in the structure of Crystal Structure of the Rieske Protein From Thermus Thermophilus (pdb code 1nyk). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1nyk structure was solved by L.M.HUNSICKER-WANG, A.HEINE, Y.CHEN, E.P.LUNA, T.TODARO, Y.M.ZHANG, P.A.WILLIAMS, D.E.MCREE, J.HIRST, C.D.STOUT, J.A.FEE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.0-1.3 Space group C2221 a (A) 58.569 b (A) 78.267 c (A) 136.794 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.7 Rfree (%) 21.2 Iron Binding Sites: Iron binding site 1 out of 4 in 1nyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1nyk. 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: Cys132, A: His134, A: Leu135, A: Cys137, A: Cys151, A: Cys153, A: His154, A: Gly156, A: Fes211, conact list: Atom Atom Distance (A) Fe CB A:Cys132 3.14 Fe SG A:Cys132 2.32 Fe CA A:Cys132 4.61 Fe CB A:His134 4.15 Fe ND1 A:His134 4.31 Fe CG A:His134 4.75 Fe N A:Leu135 4.71 Fe O A:Cys137 5.00 Fe N A:Cys137 4.82 Fe CB A:Cys137 4.39 Fe O A:Cys151 4.97 Fe CB A:Cys151 3.13 Fe SG A:Cys151 2.27 Fe C A:Cys151 4.87 Fe CA A:Cys151 4.52 Fe N A:Cys153 4.93 Fe CB A:Cys153 4.35 Fe N A:His154 4.45 Fe ND1 A:His154 4.46 Fe N A:Gly156 4.88 Fe S1 A:Fes211 2.20 Fe S2 A:Fes211 2.23 Fe FE1 A:Fes211 0.00 Fe FE2 A:Fes211 2.69 interactive model: Iron binding site 2 out of 4 in 1nyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1nyk. 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: Cys132, A: His134, A: Leu135, A: Cys151, A: Cys153, A: His154, A: Pro170, A: Fes211, conact list: Atom Atom Distance (A) Fe SG A:Cys132 4.35 Fe NE2 A:His134 4.15 Fe CB A:His134 3.44 Fe ND1 A:His134 2.05 Fe CD2 A:His134 4.22 Fe C A:His134 4.76 Fe CE1 A:His134 3.01 Fe CG A:His134 3.11 Fe CA A:His134 4.68 Fe N A:Leu135 4.10 Fe CB A:Leu135 4.45 Fe CG A:Leu135 4.93 Fe CA A:Leu135 4.85 Fe SG A:Cys151 4.49 Fe CB A:Cys153 4.14 Fe C A:Cys153 4.54 Fe CA A:Cys153 4.90 Fe NE2 A:His154 4.24 Fe N A:His154 3.72 Fe CB A:His154 3.43 Fe ND1 A:His154 2.11 Fe CD2 A:His154 4.24 Fe C A:His154 4.78 Fe CE1 A:His154 3.10 Fe CG A:His154 3.12 Fe CA A:His154 4.07 Fe CG A:Pro170 4.24 Fe S1 A:Fes211 2.23 Fe S2 A:Fes211 2.26 Fe FE1 A:Fes211 2.69 Fe FE2 A:Fes211 0.00 interactive model: Iron binding site 3 out of 4 in 1nyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1nyk. 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: Cys132, B: His134, B: Leu135, B: Cys137, B: Cys151, B: Cys153, B: His154, B: Gly156, B: Pro171, B: Fes211, conact list: Atom Atom Distance (A) Fe CB B:Cys132 3.18 Fe SG B:Cys132 2.35 Fe CA B:Cys132 4.64 Fe CB B:His134 4.15 Fe ND1 B:His134 4.30 Fe CG B:His134 4.76 Fe N B:Leu135 4.73 Fe O B:Cys137 4.98 Fe N B:Cys137 4.82 Fe CB B:Cys137 4.40 Fe CB B:Cys151 3.14 Fe SG B:Cys151 2.29 Fe C B:Cys151 4.93 Fe CA B:Cys151 4.56 Fe N B:Cys153 4.91 Fe CB B:Cys153 4.29 Fe N B:His154 4.43 Fe ND1 B:His154 4.48 Fe N B:Gly156 4.86 Fe CG B:Pro171 4.92 Fe S1 B:Fes211 2.22 Fe S2 B:Fes211 2.23 Fe FE1 B:Fes211 0.00 Fe FE2 B:Fes211 2.68 interactive model: Iron binding site 4 out of 4 in 1nyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1nyk. 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: Cys132, B: His134, B: Leu135, B: Cys151, B: Cys153, B: His154, B: Pro170, B: Fes211, conact list: Atom Atom Distance (A) Fe SG B:Cys132 4.36 Fe NE2 B:His134 4.18 Fe CB B:His134 3.44 Fe ND1 B:His134 2.06 Fe CD2 B:His134 4.26 Fe C B:His134 4.78 Fe CE1 B:His134 3.03 Fe CG B:His134 3.12 Fe CA B:His134 4.66 Fe N B:Leu135 4.08 Fe CB B:Leu135 4.49 Fe CG B:Leu135 4.90 Fe CA B:Leu135 4.81 Fe SG B:Cys151 4.51 Fe CB B:Cys153 4.13 Fe C B:Cys153 4.53 Fe CA B:Cys153 4.88 Fe NE2 B:His154 4.24 Fe N B:His154 3.71 Fe CB B:His154 3.43 Fe ND1 B:His154 2.16 Fe CD2 B:His154 4.25 Fe C B:His154 4.76 Fe CE1 B:His154 3.10 Fe CG B:His154 3.15 Fe CA B:His154 4.07 Fe CG B:Pro170 4.32 Fe S1 B:Fes211 2.23 Fe S2 B:Fes211 2.26 Fe FE1 B:Fes211 2.68 Fe FE2 B:Fes211 0.00 interactive model: