Iron in the structure of Structure of Catechol 2,3-Dioxygenase (Metapyrocatechase) From Pseudomonas Putida Mt-2 (pdb 1mpy)

The binding sites of Iron atom in the structure of Structure of Catechol 2,3-Dioxygenase (Metapyrocatechase) From Pseudomonas Putida Mt-2 (pdb code 1mpy). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1mpy structure was solved by A.KITA, S.KITA, I.FUJISAWA, K.INAKA, T.ISHIDA, K.HORIIKE, M.NOZAKI, K.MIKI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.8 Space group P42212 a (A) 264.000 b (A) 264.000 c (A) 59.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 28 Iron Binding Sites: Iron binding site 1 out of 4 in 1mpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1mpy. 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: His153, A: His199, A: His214, A: Ser216, A: His246, A: Tyr255, A: Glu265, A: Acn309, A: Hoh5109, conact list: Atom Atom Distance (A) Fe NE2 A:His153 2.39 Fe ND1 A:His153 4.52 Fe CD2 A:His153 3.46 Fe CE1 A:His153 3.33 Fe CG A:His153 4.61 Fe NE2 A:His199 4.00 Fe CE1 A:His199 4.17 Fe NE2 A:His214 2.50 Fe ND1 A:His214 4.45 Fe CD2 A:His214 3.68 Fe CE1 A:His214 3.21 Fe CG A:His214 4.70 Fe CB A:Ser216 4.71 Fe OG A:Ser216 3.61 Fe NE2 A:His246 4.73 Fe CZ A:Tyr255 4.81 Fe CE1 A:Tyr255 4.77 Fe OH A:Tyr255 3.82 Fe OE1 A:Glu265 2.29 Fe CB A:Glu265 4.91 Fe OE2 A:Glu265 3.32 Fe CD A:Glu265 3.14 Fe CG A:Glu265 4.51 Fe O A:Acn309 2.70 Fe C A:Acn309 3.98 Fe C1 A:Acn309 4.87 Fe O A:Hoh5109 4.05 interactive model: Iron binding site 2 out of 4 in 1mpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1mpy. 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: His153, B: His199, B: His214, B: Ser216, B: His246, B: Tyr255, B: Glu265, B: Acn309, B: Hoh5110, conact list: Atom Atom Distance (A) Fe NE2 B:His153 2.47 Fe ND1 B:His153 4.57 Fe CD2 B:His153 3.54 Fe CE1 B:His153 3.38 Fe CG B:His153 4.67 Fe NE2 B:His199 4.15 Fe CE1 B:His199 4.48 Fe NE2 B:His214 2.43 Fe ND1 B:His214 4.26 Fe CD2 B:His214 3.61 Fe CE1 B:His214 3.05 Fe CG B:His214 4.56 Fe CB B:Ser216 4.78 Fe OG B:Ser216 3.42 Fe NE2 B:His246 4.62 Fe CZ B:Tyr255 4.71 Fe CE1 B:Tyr255 4.69 Fe OH B:Tyr255 3.69 Fe OE1 B:Glu265 2.17 Fe CB B:Glu265 4.64 Fe OE2 B:Glu265 3.12 Fe CD B:Glu265 2.94 Fe CG B:Glu265 4.30 Fe O B:Acn309 2.44 Fe C B:Acn309 3.70 Fe C2 B:Acn309 4.76 Fe C1 B:Acn309 4.59 Fe O B:Hoh5110 4.54 interactive model: Iron binding site 3 out of 4 in 1mpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1mpy. 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: His153, C: His199, C: His214, C: Ser216, C: His246, C: Tyr255, C: Glu265, C: Acn309, C: Hoh5112, conact list: Atom Atom Distance (A) Fe NE2 C:His153 2.60 Fe ND1 C:His153 4.72 Fe CD2 C:His153 3.71 Fe CE1 C:His153 3.50 Fe CG C:His153 4.84 Fe NE2 C:His199 4.17 Fe CE1 C:His199 4.61 Fe NE2 C:His214 2.49 Fe ND1 C:His214 4.07 Fe CD2 C:His214 3.78 Fe CE1 C:His214 2.81 Fe CG C:His214 4.57 Fe CB C:Ser216 4.74 Fe OG C:Ser216 3.56 Fe NE2 C:His246 4.83 Fe CZ C:Tyr255 4.63 Fe CE1 C:Tyr255 4.52 Fe OH C:Tyr255 3.73 Fe OE1 C:Glu265 2.19 Fe CB C:Glu265 4.75 Fe OE2 C:Glu265 3.11 Fe CD C:Glu265 2.97 Fe CG C:Glu265 4.39 Fe O C:Acn309 2.42 Fe C C:Acn309 3.66 Fe C2 C:Acn309 4.59 Fe C1 C:Acn309 4.69 Fe O C:Hoh5112 3.99 interactive model: Iron binding site 4 out of 4 in 1mpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1mpy. 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: His153, D: Leu155, D: His199, D: His214, D: Ser216, D: Tyr255, D: Glu265, D: Acn309, conact list: Atom Atom Distance (A) Fe NE2 D:His153 2.43 Fe ND1 D:His153 4.61 Fe CD2 D:His153 3.35 Fe CE1 D:His153 3.49 Fe CG D:His153 4.56 Fe CB D:Leu155 4.68 Fe CD1 D:Leu155 4.67 Fe NE2 D:His199 3.96 Fe CE1 D:His199 4.42 Fe NE2 D:His214 2.19 Fe ND1 D:His214 4.28 Fe CD2 D:His214 3.33 Fe CE1 D:His214 3.06 Fe CG D:His214 4.43 Fe CB D:Ser216 4.49 Fe OG D:Ser216 3.29 Fe CZ D:Tyr255 4.95 Fe CE1 D:Tyr255 4.88 Fe OH D:Tyr255 4.06 Fe OE1 D:Glu265 2.36 Fe CB D:Glu265 4.90 Fe OE2 D:Glu265 3.77 Fe CD D:Glu265 3.42 Fe CG D:Glu265 4.70 Fe O D:Acn309 2.86 Fe C D:Acn309 4.17 interactive model: