Iron in the structure of Crystal Structure Determination of A Salicylate 1,2- Dioxygenase From Pseudaminobacter Salicylatoxidans (pdb 2phd)

The binding sites of Iron atom in the structure of Crystal Structure Determination of A Salicylate 1,2- Dioxygenase From Pseudaminobacter Salicylatoxidans (pdb code 2phd). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2phd structure was solved by I.MATERA, M.FERRARONI, F.BRIGANTI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.9 Space group P43212 a (A) 133.016 b (A) 133.016 c (A) 190.748 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.3 Rfree (%) 26.2 Iron Binding Sites: Iron binding site 1 out of 4 in 2phd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2phd. 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: His119, A: His121, A: Arg127, A: His160, A: Act371, conact list: Atom Atom Distance (A) Fe NE2 A:His119 1.94 Fe ND1 A:His119 4.00 Fe CD2 A:His119 3.03 Fe CE1 A:His119 2.84 Fe CG A:His119 4.12 Fe NE2 A:His121 2.20 Fe ND1 A:His121 4.26 Fe CD2 A:His121 3.25 Fe CE1 A:His121 3.10 Fe CG A:His121 4.37 Fe NH2 A:Arg127 4.55 Fe NE2 A:His160 2.16 Fe ND1 A:His160 4.27 Fe CD2 A:His160 3.11 Fe CE1 A:His160 3.16 Fe CG A:His160 4.28 Fe O A:Act371 2.91 Fe C A:Act371 3.61 Fe OXT A:Act371 3.37 interactive model: Iron binding site 2 out of 4 in 2phd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2phd. 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: His119, B: His121, B: Arg127, B: His160, D: Act1, B: Hoh371, B: Hoh378, B: Hoh419, conact list: Atom Atom Distance (A) Fe NE2 B:His119 1.80 Fe ND1 B:His119 3.88 Fe CD2 B:His119 2.83 Fe CE1 B:His119 2.77 Fe CG B:His119 3.95 Fe NE2 B:His121 2.30 Fe ND1 B:His121 4.40 Fe CD2 B:His121 3.27 Fe CE1 B:His121 3.28 Fe CG B:His121 4.44 Fe NH2 B:Arg127 4.54 Fe NE2 B:His160 1.98 Fe ND1 B:His160 3.93 Fe CD2 B:His160 3.16 Fe CE1 B:His160 2.73 Fe CG B:His160 4.16 Fe O D:Act1 2.53 Fe CH3 D:Act1 4.90 Fe C D:Act1 3.42 Fe OXT D:Act1 3.40 Fe O B:Hoh371 4.07 Fe O B:Hoh378 4.69 Fe O B:Hoh419 2.16 interactive model: Iron binding site 3 out of 4 in 2phd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2phd. 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: Met46, C: His119, C: His121, C: Arg127, C: His160, C: Hoh371, C: Hoh372, C: Hoh382, C: Hoh432, conact list: Atom Atom Distance (A) Fe CE A:Met46 4.81 Fe NE2 C:His119 2.23 Fe ND1 C:His119 4.34 Fe CD2 C:His119 3.13 Fe CE1 C:His119 3.26 Fe CG C:His119 4.31 Fe NE2 C:His121 2.14 Fe ND1 C:His121 4.19 Fe CD2 C:His121 3.21 Fe CE1 C:His121 3.03 Fe CG C:His121 4.31 Fe NH2 C:Arg127 4.58 Fe NE2 C:His160 1.92 Fe ND1 C:His160 4.01 Fe CD2 C:His160 2.94 Fe CE1 C:His160 2.89 Fe CG C:His160 4.07 Fe O C:Hoh371 3.76 Fe O C:Hoh372 4.24 Fe O C:Hoh382 3.04 Fe O C:Hoh432 1.93 interactive model: Iron binding site 4 out of 4 in 2phd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2phd. 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: His119, D: His121, D: Arg127, D: His160, D: Hoh374, D: Hoh375, D: Hoh388, conact list: Atom Atom Distance (A) Fe NE2 D:His119 2.02 Fe ND1 D:His119 4.05 Fe CD2 D:His119 3.11 Fe CE1 D:His119 2.89 Fe CG D:His119 4.18 Fe NE2 D:His121 2.13 Fe ND1 D:His121 4.19 Fe CD2 D:His121 3.21 Fe CE1 D:His121 3.02 Fe CG D:His121 4.31 Fe NH2 D:Arg127 4.73 Fe NE2 D:His160 2.16 Fe ND1 D:His160 4.24 Fe CD2 D:His160 3.16 Fe CE1 D:His160 3.12 Fe CG D:His160 4.30 Fe O D:Hoh374 2.51 Fe O D:Hoh375 4.27 Fe O D:Hoh388 4.43 interactive model: