Iron in the structure of 4-Hydroxyphenylpyruvate Dioxygenase (pdb 1sp8)

The binding sites of Iron atom in the structure of 4-Hydroxyphenylpyruvate Dioxygenase (pdb code 1sp8). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1sp8 structure was solved by I.M.FRITZE, L.LINDEN, J.FREIGANG, G.AUERBACH, R.HUBER, S.STEINBACHER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.8-2.0 Space group P212121 a (A) 89.000 b (A) 110.900 c (A) 174.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 27.5 Rfree (%) 32.4 Iron Binding Sites: Iron binding site 1 out of 4 in 1sp8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1sp8. 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: His219, A: Val221, A: His301, A: Ala303, A: Phe374, A: Glu387, A: Phe412, A: Hoh501, A: Hoh502, A: Hoh718, conact list: Atom Atom Distance (A) Fe NE2 A:His219 2.12 Fe ND1 A:His219 4.17 Fe CD2 A:His219 3.20 Fe CE1 A:His219 3.01 Fe CG A:His219 4.29 Fe CG2 A:Val221 4.55 Fe NE2 A:His301 2.18 Fe ND1 A:His301 4.18 Fe CD2 A:His301 3.31 Fe CE1 A:His301 2.98 Fe CG A:His301 4.37 Fe CB A:Ala303 4.55 Fe CZ A:Phe374 4.83 Fe CE1 A:Phe374 4.58 Fe OE1 A:Glu387 2.09 Fe CB A:Glu387 4.69 Fe OE2 A:Glu387 3.61 Fe CD A:Glu387 3.18 Fe CG A:Glu387 4.47 Fe O A:Phe412 4.86 Fe CD1 A:Phe412 4.70 Fe O A:Hoh501 2.11 Fe O A:Hoh502 2.12 Fe O A:Hoh718 4.82 interactive model: Iron binding site 2 out of 4 in 1sp8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1sp8. 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: His219, B: Val221, B: His301, B: Ala303, B: Phe374, B: Glu387, B: Hoh501, B: Hoh502, B: Hoh503, conact list: Atom Atom Distance (A) Fe NE2 B:His219 2.14 Fe ND1 B:His219 4.18 Fe CD2 B:His219 3.20 Fe CE1 B:His219 3.03 Fe CG B:His219 4.30 Fe CG2 B:Val221 4.39 Fe NE2 B:His301 2.15 Fe ND1 B:His301 4.14 Fe CD2 B:His301 3.28 Fe CE1 B:His301 2.95 Fe CG B:His301 4.33 Fe CB B:Ala303 4.39 Fe CZ B:Phe374 4.65 Fe CE1 B:Phe374 4.43 Fe OE1 B:Glu387 2.11 Fe CB B:Glu387 4.60 Fe OE2 B:Glu387 3.67 Fe CD B:Glu387 3.21 Fe CG B:Glu387 4.47 Fe O B:Hoh501 2.09 Fe O B:Hoh502 2.10 Fe O B:Hoh503 2.13 interactive model: Iron binding site 3 out of 4 in 1sp8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1sp8. 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: His219, C: Val221, C: His301, C: Ala303, C: Phe374, C: Glu387, C: Phe412, C: Hoh501, C: Hoh502, C: Hoh503, C: Hoh660, conact list: Atom Atom Distance (A) Fe NE2 C:His219 2.14 Fe ND1 C:His219 4.20 Fe CD2 C:His219 3.21 Fe CE1 C:His219 3.04 Fe CG C:His219 4.31 Fe CG2 C:Val221 4.66 Fe NE2 C:His301 2.15 Fe ND1 C:His301 4.17 Fe CD2 C:His301 3.26 Fe CE1 C:His301 2.99 Fe CG C:His301 4.34 Fe CB C:Ala303 4.56 Fe CZ C:Phe374 4.73 Fe CE1 C:Phe374 4.50 Fe OE1 C:Glu387 2.11 Fe CB C:Glu387 4.75 Fe OE2 C:Glu387 3.58 Fe CD C:Glu387 3.19 Fe CG C:Glu387 4.51 Fe O C:Phe412 4.81 Fe O C:Hoh501 2.11 Fe O C:Hoh502 2.10 Fe O C:Hoh503 2.11 Fe O C:Hoh660 4.61 interactive model: Iron binding site 4 out of 4 in 1sp8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1sp8. 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: His219, D: Val221, D: His301, D: Ala303, D: Phe374, D: Glu387, D: Phe412, D: Hoh501, D: Hoh502, D: Hoh503, conact list: Atom Atom Distance (A) Fe NE2 D:His219 2.13 Fe ND1 D:His219 4.21 Fe CD2 D:His219 3.13 Fe CE1 D:His219 3.09 Fe CG D:His219 4.26 Fe CG2 D:Val221 4.44 Fe NE2 D:His301 2.16 Fe ND1 D:His301 4.19 Fe CD2 D:His301 3.23 Fe CE1 D:His301 3.03 Fe CG D:His301 4.32 Fe CB D:Ala303 4.50 Fe CZ D:Phe374 4.77 Fe CE1 D:Phe374 4.42 Fe OE1 D:Glu387 2.10 Fe CB D:Glu387 4.65 Fe OE2 D:Glu387 3.60 Fe CD D:Glu387 3.18 Fe CG D:Glu387 4.47 Fe O D:Phe412 5.00 Fe CD1 D:Phe412 4.95 Fe O D:Hoh501 2.12 Fe O D:Hoh502 2.12 Fe O D:Hoh503 2.13 interactive model: