Iron in PDB 1xu5: Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked:
1.14.13.25;

The structure of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked, PDB code: 1xu5 was solved by M.H.Sazinsky, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.185, 171.558, 221.097, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.8

The binding sites of Iron atom in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked (pdb code 1xu5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked, PDB code: 1xu5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1174 b:19.2 occ:1.00 O A:OH1177 1.9 23.3 1.0 OE1 A:GLU114 2.0 19.3 1.0 OE2 A:GLU144 2.1 14.2 1.0 O A:HOH2921 2.2 15.2 1.0 O A:HOH2668 2.2 19.5 1.0 ND1 A:HIS147 2.2 14.7 1.0 CD A:GLU114 2.9 20.4 1.0 CD A:GLU144 3.1 15.0 1.0 FE A:FE1175 3.1 24.3 1.0 CE1 A:HIS147 3.1 14.4 1.0 OE2 A:GLU114 3.2 23.5 1.0 OE1 A:GLU144 3.3 12.8 1.0 CG A:HIS147 3.3 13.9 1.0 CB A:HIS147 3.7 12.6 1.0 OE2 A:GLU243 4.1 31.0 1.0 NE2 A:HIS147 4.3 15.6 1.0 CG A:GLU114 4.3 17.5 1.0 O A:HOH2922 4.3 15.2 1.0 CE1 A:HIS246 4.4 18.6 1.0 CD2 A:HIS147 4.4 14.9 1.0 OE1 A:GLU243 4.4 26.1 1.0 CG A:GLU144 4.5 12.7 1.0 ND1 A:HIS246 4.5 20.2 1.0 CA A:GLU144 4.7 12.8 1.0 CB A:GLU114 4.7 15.8 1.0 OE2 A:GLU209 4.7 25.9 1.0 CD A:GLU243 4.7 29.5 1.0 CG2 A:ILE239 4.7 14.6 1.0 CA A:GLU114 4.7 16.9 1.0 CB A:GLU144 4.9 12.5 1.0

Iron binding site 2 out of 4 in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1175 b:24.3 occ:1.00 O A:OH1177 1.9 23.3 1.0 OE2 A:GLU209 2.0 25.9 1.0 OE1 A:GLU243 2.2 26.1 1.0 ND1 A:HIS246 2.3 20.2 1.0 OE1 A:GLU144 2.3 12.8 1.0 O A:HOH2921 2.5 15.2 1.0 CE1 A:HIS246 3.0 18.6 1.0 FE A:FE1174 3.1 19.2 1.0 CD A:GLU209 3.1 27.1 1.0 CD A:GLU243 3.2 29.5 1.0 CD A:GLU144 3.3 15.0 1.0 CG A:HIS246 3.4 21.4 1.0 OE2 A:GLU243 3.4 31.0 1.0 OE2 A:GLU144 3.5 14.2 1.0 NE2 A:GLN140 3.8 19.6 1.0 CB A:HIS246 3.9 22.8 1.0 CG A:GLU209 3.9 26.2 1.0 OE1 A:GLU209 3.9 24.6 1.0 O A:HOH2668 4.0 19.5 1.0 NE2 A:HIS246 4.2 19.6 1.0 O A:HOH2922 4.4 15.2 1.0 CD2 A:HIS246 4.4 18.3 1.0 CG A:GLU243 4.5 27.9 1.0 ND1 A:HIS147 4.6 14.7 1.0 CD A:GLN140 4.6 20.7 1.0 CE1 A:HIS147 4.7 14.4 1.0 CG A:GLU144 4.7 12.7 1.0 OE1 A:GLU114 4.8 19.3 1.0 CG A:GLN140 4.8 18.8 1.0 CB A:GLU209 4.8 25.4 1.0

Iron binding site 3 out of 4 in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1170 b:19.5 occ:1.00 O B:OH1173 1.8 25.0 1.0 OE1 B:GLU114 2.0 16.2 1.0 OE2 B:GLU144 2.1 19.6 1.0 O B:HOH2667 2.1 21.2 1.0 ND1 B:HIS147 2.2 15.3 1.0 O B:HOH2736 2.3 22.3 1.0 CD B:GLU114 3.0 19.5 1.0 FE B:FE1171 3.0 26.5 1.0 CD B:GLU144 3.1 18.6 1.0 CE1 B:HIS147 3.1 16.2 1.0 CG B:HIS147 3.3 13.8 1.0 OE1 B:GLU144 3.3 19.0 1.0 OE2 B:GLU114 3.3 23.8 1.0 CB B:HIS147 3.7 16.6 1.0 OE2 B:GLU243 4.1 28.2 1.0 NE2 B:HIS147 4.2 16.9 1.0 CE1 B:HIS246 4.3 23.7 1.0 CG B:GLU114 4.3 17.9 1.0 CD2 B:HIS147 4.4 15.7 1.0 OE1 B:GLU243 4.4 23.4 1.0 ND1 B:HIS246 4.4 23.0 1.0 O B:HOH2912 4.4 15.2 1.0 CG B:GLU144 4.5 17.2 1.0 CA B:GLU144 4.6 15.9 1.0 OE1 B:GLU209 4.6 30.0 1.0 CB B:GLU114 4.7 17.1 1.0 CD B:GLU243 4.7 26.1 1.0 CG2 B:ILE239 4.7 13.0 1.0 CA B:GLU114 4.7 17.7 1.0 CB B:GLU144 4.9 15.5 1.0

Iron binding site 4 out of 4 in the Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Soluble Methane Monooxygenase Hydroxylase-Phenol Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1171 b:26.5 occ:1.00 O B:OH1173 1.8 25.0 1.0 OE1 B:GLU209 2.0 30.0 1.0 OE1 B:GLU243 2.2 23.4 1.0 ND1 B:HIS246 2.2 23.0 1.0 OE1 B:GLU144 2.4 19.0 1.0 O B:HOH2736 2.5 22.3 1.0 CE1 B:HIS246 3.0 23.7 1.0 CD B:GLU209 3.0 30.3 1.0 FE B:FE1170 3.0 19.5 1.0 CD B:GLU243 3.1 26.1 1.0 CD B:GLU144 3.3 18.6 1.0 CG B:HIS246 3.3 24.4 1.0 OE2 B:GLU243 3.4 28.2 1.0 OE2 B:GLU144 3.5 19.6 1.0 NE2 B:GLN140 3.6 21.2 1.0 CG B:GLU209 3.7 28.1 1.0 CB B:HIS246 3.8 23.5 1.0 OE2 B:GLU209 3.9 27.3 1.0 O B:HOH2667 4.0 21.2 1.0 NE2 B:HIS246 4.2 22.7 1.0 CD2 B:HIS246 4.4 23.1 1.0 CD B:GLN140 4.4 24.3 1.0 CG B:GLU243 4.5 25.6 1.0 ND1 B:HIS147 4.5 15.3 1.0 CE1 B:HIS147 4.6 16.2 1.0 O B:HOH2912 4.7 15.2 1.0 CG B:GLU144 4.7 17.2 1.0 CG B:GLN140 4.7 21.1 1.0 OE1 B:GLU114 4.8 16.2 1.0 CB B:GLU209 4.9 28.8 1.0

M.H.Sazinsky, S.J.Lippard. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. V. 127 5814 2005.
ISSN: ISSN 0002-7863
PubMed: 15839679
DOI: 10.1021/JA044099B