Iron in the structure of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure (pdb 1xvd)

The binding sites of Iron atom in the structure of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure (pdb code 1xvd). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1xvd structure was solved by M.H.SAZINSKY, S.J.LIPPARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.9-2.3 Space group P212121 a (A) 71.182 b (A) 171.497 c (A) 221.304 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 22.9 Iron Binding Sites: Iron binding site 1 out of 4 in 1xvd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1xvd. 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: Glu114, A: Glu144, A: His147, A: Glu209, A: Ile239, A: Glu243, A: His246, A: Fe529, A: Hoh2861, A: Hoh2862, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 2.14 Fe CB A:Glu114 4.90 Fe OE2 A:Glu114 2.93 Fe CD A:Glu114 2.88 Fe CG A:Glu114 4.36 Fe OE1 A:Glu144 3.41 Fe OE2 A:Glu144 2.66 Fe CD A:Glu144 3.43 Fe CG A:Glu144 4.92 Fe NE2 A:His147 4.24 Fe CB A:His147 4.04 Fe ND1 A:His147 2.34 Fe CD2 A:His147 4.50 Fe CE1 A:His147 3.01 Fe CG A:His147 3.52 Fe OE2 A:Glu209 4.74 Fe CG2 A:Ile239 4.73 Fe OE1 A:Glu243 4.55 Fe OE2 A:Glu243 3.88 Fe CD A:Glu243 4.65 Fe ND1 A:His246 3.99 Fe CE1 A:His246 3.88 Fe FE A:Fe529 2.77 Fe O A:Hoh2861 3.24 Fe O A:Hoh2862 2.89 interactive model: Iron binding site 2 out of 4 in 1xvd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1xvd. 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: Glu114, A: Gln140, A: Glu144, A: His147, A: Glu209, A: Glu243, A: His246, A: Fe528, A: Hoh2861, A: Hoh2862, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 4.76 Fe NE2 A:Gln140 3.67 Fe CD A:Gln140 4.52 Fe CG A:Gln140 4.85 Fe OE1 A:Glu144 3.01 Fe OE2 A:Glu144 4.05 Fe CD A:Glu144 3.93 Fe ND1 A:His147 4.51 Fe CE1 A:His147 4.48 Fe OE1 A:Glu209 4.08 Fe CB A:Glu209 4.92 Fe OE2 A:Glu209 2.42 Fe CD A:Glu209 3.31 Fe CG A:Glu209 4.07 Fe OE1 A:Glu243 2.64 Fe OE2 A:Glu243 2.81 Fe CD A:Glu243 3.06 Fe CG A:Glu243 4.55 Fe NE2 A:His246 4.07 Fe CB A:His246 3.64 Fe ND1 A:His246 2.06 Fe CD2 A:His246 4.22 Fe CE1 A:His246 2.89 Fe CG A:His246 3.18 Fe FE A:Fe528 2.77 Fe O A:Hoh2861 3.54 Fe O A:Hoh2862 4.03 interactive model: Iron binding site 3 out of 4 in 1xvd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1xvd. 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: Glu114, B: Glu144, B: His147, B: Glu209, B: Ile239, B: Glu243, B: His246, B: Fe529, B: Hoh2864, B: Hoh2865, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 1.90 Fe CB B:Glu114 4.73 Fe OE2 B:Glu114 3.19 Fe CD B:Glu114 2.88 Fe CG B:Glu114 4.24 Fe CA B:Glu114 4.89 Fe OE1 B:Glu144 3.31 Fe OE2 B:Glu144 2.38 Fe CD B:Glu144 3.22 Fe CG B:Glu144 4.67 Fe CA B:Glu144 4.77 Fe NE2 B:His147 4.22 Fe CB B:His147 3.73 Fe ND1 B:His147 2.21 Fe CD2 B:His147 4.37 Fe CE1 B:His147 3.04 Fe CG B:His147 3.31 Fe OE1 B:Glu209 4.76 Fe CG2 B:Ile239 4.80 Fe OE1 B:Glu243 4.35 Fe OE2 B:Glu243 4.05 Fe CD B:Glu243 4.65 Fe NE2 B:His246 4.87 Fe ND1 B:His246 3.93 Fe CE1 B:His246 3.63 Fe FE B:Fe529 2.57 Fe O B:Hoh2864 2.71 Fe O B:Hoh2865 2.91 interactive model: Iron binding site 4 out of 4 in 1xvd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1xvd. 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: Glu114, B: Gln140, B: Glu144, B: His147, B: Glu209, B: Glu243, B: His246, B: Fe528, B: Hoh2864, B: Hoh2865, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 4.33 Fe NE2 B:Gln140 4.37 Fe CD B:Gln140 4.72 Fe CG B:Gln140 4.94 Fe OE1 B:Glu144 2.69 Fe OE2 B:Glu144 3.62 Fe CD B:Glu144 3.54 Fe CG B:Glu144 4.98 Fe ND1 B:His147 4.14 Fe CE1 B:His147 4.25 Fe OE1 B:Glu209 2.75 Fe OE2 B:Glu209 4.06 Fe CD B:Glu209 3.42 Fe CG B:Glu209 4.13 Fe OE1 B:Glu243 2.53 Fe OE2 B:Glu243 3.19 Fe CD B:Glu243 3.21 Fe CG B:Glu243 4.67 Fe NE2 B:His246 3.79 Fe CB B:His246 3.86 Fe ND1 B:His246 1.93 Fe CD2 B:His246 4.11 Fe CE1 B:His246 2.55 Fe CG B:His246 3.19 Fe FE B:Fe528 2.57 Fe O B:Hoh2864 3.14 Fe O B:Hoh2865 3.42 interactive model: