Iron in the structure of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure (pdb 1xvg)

The binding sites of Iron atom in the structure of Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure (pdb code 1xvg). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1xvg 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) 30.0-2.0 Space group P212121 a (A) 71.282 b (A) 171.538 c (A) 221.424 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 23 Iron Binding Sites: Iron binding site 1 out of 4 in 1xvg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1xvg. 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: Brj3803, A: Hoh4001, A: Hoh4099, A: Hoh4114, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 1.95 Fe CB A:Glu114 4.63 Fe OE2 A:Glu114 3.22 Fe CD A:Glu114 2.92 Fe CG A:Glu114 4.30 Fe CA A:Glu114 4.69 Fe OE1 A:Glu144 3.37 Fe CB A:Glu144 4.92 Fe OE2 A:Glu144 2.13 Fe CD A:Glu144 3.11 Fe CG A:Glu144 4.52 Fe CA A:Glu144 4.66 Fe NE2 A:His147 4.21 Fe CB A:His147 3.61 Fe ND1 A:His147 2.16 Fe CD2 A:His147 4.32 Fe CE1 A:His147 3.05 Fe CG A:His147 3.23 Fe OE2 A:Glu209 4.69 Fe CG2 A:Ile239 4.66 Fe OE1 A:Glu243 4.81 Fe OE2 A:Glu243 4.11 Fe CD A:Glu243 4.90 Fe ND1 A:His246 4.53 Fe CE1 A:His246 4.39 Fe FE A:Fe529 3.19 Fe OB1 A:Brj3803 2.20 Fe BR1 A:Brj3803 4.63 Fe CB A:Brj3803 4.39 Fe CB1 A:Brj3803 3.24 Fe O A:Hoh4001 2.32 Fe O A:Hoh4099 1.98 Fe O A:Hoh4114 3.85 interactive model: Iron binding site 2 out of 4 in 1xvg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1xvg. 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: Brj3803, A: Hoh4001, A: Hoh4099, A: Hoh4114, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 4.85 Fe NE2 A:Gln140 3.66 Fe CD A:Gln140 4.49 Fe CG A:Gln140 4.74 Fe OE1 A:Glu144 2.34 Fe OE2 A:Glu144 3.54 Fe CD A:Glu144 3.31 Fe CG A:Glu144 4.70 Fe ND1 A:His147 4.57 Fe CE1 A:His147 4.62 Fe OE1 A:Glu209 3.90 Fe CB A:Glu209 4.90 Fe OE2 A:Glu209 1.92 Fe CD A:Glu209 3.05 Fe CG A:Glu209 3.90 Fe OE1 A:Glu243 2.45 Fe OE2 A:Glu243 3.17 Fe CD A:Glu243 3.15 Fe CG A:Glu243 4.60 Fe NE2 A:His246 4.17 Fe CB A:His246 3.76 Fe ND1 A:His246 2.17 Fe CD2 A:His246 4.34 Fe CE1 A:His246 2.98 Fe CG A:His246 3.30 Fe FE A:Fe528 3.19 Fe OB1 A:Brj3803 2.39 Fe CB A:Brj3803 4.29 Fe CB1 A:Brj3803 3.27 Fe O A:Hoh4001 4.23 Fe O A:Hoh4099 2.01 Fe O A:Hoh4114 3.58 interactive model: Iron binding site 3 out of 4 in 1xvg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1xvg. 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: Brj3800, B: Hoh3816, B: Hoh3882, B: Hoh4086, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 2.05 Fe CB B:Glu114 4.70 Fe OE2 B:Glu114 3.32 Fe CD B:Glu114 3.02 Fe CG B:Glu114 4.39 Fe CA B:Glu114 4.78 Fe OE1 B:Glu144 3.35 Fe CB B:Glu144 4.98 Fe OE2 B:Glu144 2.21 Fe CD B:Glu144 3.14 Fe CG B:Glu144 4.57 Fe CA B:Glu144 4.68 Fe NE2 B:His147 4.22 Fe CB B:His147 3.66 Fe ND1 B:His147 2.18 Fe CD2 B:His147 4.34 Fe CE1 B:His147 3.05 Fe CG B:His147 3.26 Fe OE1 B:Glu209 4.62 Fe CG2 B:Ile239 4.66 Fe OE1 B:Glu243 4.73 Fe OE2 B:Glu243 4.13 Fe CD B:Glu243 4.88 Fe ND1 B:His246 4.39 Fe CE1 B:His246 4.24 Fe FE B:Fe529 3.08 Fe OB1 B:Brj3800 2.41 Fe BR1 B:Brj3800 4.66 Fe CB B:Brj3800 4.52 Fe CB1 B:Brj3800 3.36 Fe O B:Hoh3816 1.93 Fe O B:Hoh3882 2.25 Fe O B:Hoh4086 3.77 interactive model: Iron binding site 4 out of 4 in 1xvg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1xvg. 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: Brj3800, B: Hoh3816, B: Hoh3882, B: Hoh4086, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 4.83 Fe NE2 B:Gln140 3.81 Fe CD B:Gln140 4.55 Fe CG B:Gln140 4.73 Fe OE1 B:Glu144 2.40 Fe OE2 B:Glu144 3.58 Fe CD B:Glu144 3.35 Fe CG B:Glu144 4.74 Fe ND1 B:His147 4.53 Fe CE1 B:His147 4.59 Fe OE1 B:Glu209 2.01 Fe CB B:Glu209 4.95 Fe OE2 B:Glu209 3.89 Fe CD B:Glu209 3.01 Fe CG B:Glu209 3.74 Fe OE1 B:Glu243 2.42 Fe OE2 B:Glu243 3.37 Fe CD B:Glu243 3.25 Fe CG B:Glu243 4.66 Fe NE2 B:His246 4.10 Fe CB B:His246 3.73 Fe ND1 B:His246 2.10 Fe CD2 B:His246 4.27 Fe CE1 B:His246 2.90 Fe CG B:His246 3.24 Fe FE B:Fe528 3.08 Fe OB1 B:Brj3800 2.37 Fe CB B:Brj3800 4.48 Fe CB1 B:Brj3800 3.36 Fe O B:Hoh3816 1.81 Fe O B:Hoh3882 4.20 Fe O B:Hoh4086 3.64 interactive model: