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 |
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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:
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