Iron in the structure of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked (pdb 1xu5)

The binding sites of Iron atom in the structure of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked (pdb code 1xu5). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1xu5 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) 29.9-2.0 Space group P212121 a (A) 71.185 b (A) 171.558 c (A) 221.097 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 22.8 Iron Binding Sites: Iron binding site 1 out of 4 in 1xu5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1xu5. 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: Fe1175, A: Oh1177, A: Hoh2668, A: Hoh2921, A: Hoh2922, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 1.97 Fe CB A:Glu114 4.68 Fe OE2 A:Glu114 3.25 Fe CD A:Glu114 2.94 Fe CG A:Glu114 4.31 Fe CA A:Glu114 4.72 Fe OE1 A:Glu144 3.28 Fe CB A:Glu144 4.90 Fe OE2 A:Glu144 2.12 Fe CD A:Glu144 3.05 Fe CG A:Glu144 4.47 Fe CA A:Glu144 4.67 Fe NE2 A:His147 4.27 Fe CB A:His147 3.65 Fe ND1 A:His147 2.22 Fe CD2 A:His147 4.38 Fe CE1 A:His147 3.11 Fe CG A:His147 3.28 Fe OE2 A:Glu209 4.68 Fe CG2 A:Ile239 4.72 Fe OE1 A:Glu243 4.40 Fe OE2 A:Glu243 4.14 Fe CD A:Glu243 4.72 Fe ND1 A:His246 4.49 Fe CE1 A:His246 4.35 Fe FE A:Fe1175 3.07 Fe O A:Oh1177 1.89 Fe O A:Hoh2668 2.19 Fe O A:Hoh2921 2.16 Fe O A:Hoh2922 4.35 interactive model: Iron binding site 2 out of 4 in 1xu5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1xu5. 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: Fe1174, A: Oh1177, A: Hoh2668, A: Hoh2921, A: Hoh2922, conact list: Atom Atom Distance (A) Fe OE1 A:Glu114 4.76 Fe NE2 A:Gln140 3.82 Fe CD A:Gln140 4.58 Fe CG A:Gln140 4.77 Fe OE1 A:Glu144 2.29 Fe OE2 A:Glu144 3.52 Fe CD A:Glu144 3.27 Fe CG A:Glu144 4.66 Fe ND1 A:His147 4.56 Fe CE1 A:His147 4.65 Fe OE1 A:Glu209 3.93 Fe CB A:Glu209 4.85 Fe OE2 A:Glu209 1.99 Fe CD A:Glu209 3.07 Fe CG A:Glu209 3.89 Fe OE1 A:Glu243 2.25 Fe OE2 A:Glu243 3.44 Fe CD A:Glu243 3.18 Fe CG A:Glu243 4.55 Fe NE2 A:His246 4.24 Fe CB A:His246 3.87 Fe ND1 A:His246 2.26 Fe CD2 A:His246 4.44 Fe CE1 A:His246 3.03 Fe CG A:His246 3.40 Fe FE A:Fe1174 3.07 Fe O A:Oh1177 1.86 Fe O A:Hoh2668 4.03 Fe O A:Hoh2921 2.48 Fe O A:Hoh2922 4.40 interactive model: Iron binding site 3 out of 4 in 1xu5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1xu5. 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: Fe1171, B: Oh1173, B: Hoh2667, B: Hoh2736, B: Hoh2912, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 1.97 Fe CB B:Glu114 4.66 Fe OE2 B:Glu114 3.32 Fe CD B:Glu114 2.98 Fe CG B:Glu114 4.34 Fe CA B:Glu114 4.75 Fe OE1 B:Glu144 3.29 Fe CB B:Glu144 4.88 Fe OE2 B:Glu144 2.12 Fe CD B:Glu144 3.06 Fe CG B:Glu144 4.47 Fe CA B:Glu144 4.60 Fe NE2 B:His147 4.24 Fe CB B:His147 3.68 Fe ND1 B:His147 2.20 Fe CD2 B:His147 4.36 Fe CE1 B:His147 3.07 Fe CG B:His147 3.28 Fe OE1 B:Glu209 4.61 Fe CG2 B:Ile239 4.75 Fe OE1 B:Glu243 4.38 Fe OE2 B:Glu243 4.10 Fe CD B:Glu243 4.69 Fe ND1 B:His246 4.42 Fe CE1 B:His246 4.31 Fe FE B:Fe1171 3.04 Fe O B:Oh1173 1.82 Fe O B:Hoh2667 2.14 Fe O B:Hoh2736 2.31 Fe O B:Hoh2912 4.42 interactive model: Iron binding site 4 out of 4 in 1xu5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1xu5. 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: Fe1170, B: Oh1173, B: Hoh2667, B: Hoh2736, B: Hoh2912, conact list: Atom Atom Distance (A) Fe OE1 B:Glu114 4.77 Fe NE2 B:Gln140 3.63 Fe CD B:Gln140 4.45 Fe CG B:Gln140 4.70 Fe OE1 B:Glu144 2.39 Fe OE2 B:Glu144 3.53 Fe CD B:Glu144 3.32 Fe CG B:Glu144 4.69 Fe ND1 B:His147 4.51 Fe CE1 B:His147 4.57 Fe OE1 B:Glu209 2.05 Fe CB B:Glu209 4.94 Fe OE2 B:Glu209 3.87 Fe CD B:Glu209 3.00 Fe CG B:Glu209 3.72 Fe OE1 B:Glu243 2.17 Fe OE2 B:Glu243 3.39 Fe CD B:Glu243 3.12 Fe CG B:Glu243 4.50 Fe NE2 B:His246 4.19 Fe CB B:His246 3.78 Fe ND1 B:His246 2.20 Fe CD2 B:His246 4.37 Fe CE1 B:His246 3.00 Fe CG B:His246 3.33 Fe FE B:Fe1170 3.04 Fe O B:Oh1173 1.80 Fe O B:Hoh2667 4.02 Fe O B:Hoh2736 2.54 Fe O B:Hoh2912 4.66 interactive model: