Iron in PDB 1xu3: Soluble Methane Monooxygenase Hydroxylase-Soaked with Bromophenol

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

The structure of Soluble Methane Monooxygenase Hydroxylase-Soaked with Bromophenol, PDB code: 1xu3 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)	29.83 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.489, 171.856, 221.424, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.5

The structure of Soluble Methane Monooxygenase Hydroxylase-Soaked with Bromophenol also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Iron atom in the Soluble Methane Monooxygenase Hydroxylase-Soaked with Bromophenol (pdb code 1xu3). 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-Soaked with Bromophenol, PDB code: 1xu3:
Jump to Iron binding site number: 1; 2; 3; 4;

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


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-Soaked with Bromophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe528 b:58.0 occ:1.00 OE1 A:GLU114 2.1 58.0 1.0 ND1 A:HIS147 2.3 35.6 1.0 OE2 A:GLU144 2.6 46.9 1.0 FE A:FE529 2.9 77.5 1.0 CD A:GLU114 3.1 53.5 1.0 CE1 A:HIS147 3.1 34.6 1.0 CG A:HIS147 3.4 32.9 1.0 OE2 A:GLU114 3.4 56.9 1.0 CD A:GLU144 3.4 44.8 1.0 OE1 A:GLU144 3.5 46.3 1.0 CB A:HIS147 3.8 32.4 1.0 OE2 A:GLU243 4.0 65.1 1.0 CE1 A:HIS246 4.1 64.6 1.0 ND1 A:HIS246 4.2 64.3 1.0 NE2 A:HIS147 4.3 35.3 1.0 CD2 A:HIS147 4.5 35.9 1.0 CG A:GLU114 4.5 49.7 1.0 OE1 A:GLU243 4.6 65.5 1.0 CD A:GLU243 4.7 65.4 1.0 CA A:GLU114 4.8 39.9 1.0 CB A:GLU114 4.8 42.5 1.0 CG2 A:ILE239 4.8 36.4 1.0 OE2 A:GLU209 4.9 67.9 1.0 CG A:GLU144 4.9 42.5 1.0 CA A:GLU144 4.9 36.4 1.0

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


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-Soaked with Bromophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe529 b:77.5 occ:1.00 ND1 A:HIS246 2.1 64.3 1.0 OE2 A:GLU209 2.5 67.9 1.0 OE1 A:GLU243 2.6 65.5 1.0 FE A:FE528 2.9 58.0 1.0 OE2 A:GLU243 2.9 65.1 1.0 OE1 A:GLU144 2.9 46.3 1.0 CE1 A:HIS246 2.9 64.6 1.0 CD A:GLU243 3.1 65.4 1.0 CG A:HIS246 3.2 63.3 1.0 CD A:GLU209 3.4 67.0 1.0 CB A:HIS246 3.7 61.8 1.0 NE2 A:GLN140 3.7 43.4 1.0 CD A:GLU144 3.8 44.8 1.0 OE2 A:GLU144 3.9 46.9 1.0 NE2 A:HIS246 4.1 64.9 1.0 OE1 A:GLU209 4.2 67.9 1.0 CG A:GLU209 4.2 65.6 1.0 CD2 A:HIS246 4.2 63.0 1.0 ND1 A:HIS147 4.4 35.6 1.0 CE1 A:HIS147 4.5 34.6 1.0 CD A:GLN140 4.5 43.6 1.0 CG A:GLU243 4.6 64.6 1.0 CG A:GLN140 4.7 42.0 1.0 OE1 A:GLU114 4.9 58.0 1.0

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


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-Soaked with Bromophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe528 b:62.2 occ:1.00 OE1 B:GLU114 1.7 50.9 1.0 ND1 B:HIS147 2.2 32.2 1.0 OE2 B:GLU144 2.3 44.0 1.0 CD B:GLU114 2.7 48.5 1.0 FE B:FE529 2.8 68.5 1.0 OE2 B:GLU114 3.0 52.4 1.0 CE1 B:HIS147 3.0 33.8 1.0 CG B:HIS147 3.2 31.9 1.0 CD B:GLU144 3.3 43.4 1.0 OE1 B:GLU144 3.5 44.5 1.0 CB B:HIS147 3.6 31.7 1.0 CE1 B:HIS246 4.0 66.6 1.0 CG B:GLU114 4.0 45.4 1.0 ND1 B:HIS246 4.1 66.5 1.0 NE2 B:HIS147 4.2 33.1 1.0 CD2 B:HIS147 4.3 32.5 1.0 OE1 B:GLU243 4.3 67.4 1.0 CB B:GLU114 4.5 41.2 1.0 CG2 B:ILE239 4.6 35.0 1.0 CA B:GLU144 4.6 38.0 1.0 CG B:GLU144 4.7 42.1 1.0 OE1 B:GLU209 4.7 70.5 1.0 OE2 B:GLU243 4.7 65.5 1.0 CA B:GLU114 4.8 39.6 1.0 CD B:GLU243 5.0 65.7 1.0

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


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-Soaked with Bromophenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe529 b:68.5 occ:1.00 ND1 B:HIS246 2.2 66.5 1.0 OE1 B:GLU209 2.6 70.5 1.0 OE1 B:GLU243 2.8 67.4 1.0 OE1 B:GLU144 2.8 44.5 1.0 FE B:FE528 2.8 62.2 1.0 CE1 B:HIS246 2.9 66.6 1.0 CD B:GLU209 3.2 70.5 1.0 CG B:HIS246 3.3 65.8 1.0 CD B:GLU144 3.6 43.4 1.0 OE2 B:GLU144 3.7 44.0 1.0 CD B:GLU243 3.8 65.7 1.0 CB B:HIS246 3.8 63.0 1.0 OE2 B:GLU209 3.9 69.6 1.0 CG B:GLU209 4.0 70.2 1.0 NE2 B:HIS246 4.1 66.4 1.0 OE2 B:GLU243 4.2 65.5 1.0 OE1 B:GLU114 4.3 50.9 1.0 ND1 B:HIS147 4.3 32.2 1.0 CD2 B:HIS246 4.3 66.4 1.0 CE1 B:HIS147 4.4 33.8 1.0 NE2 B:GLN140 4.6 52.2 1.0 CD B:GLN140 4.8 51.5 1.0 CG B:GLU243 4.9 63.0 1.0 CG B:GLN140 5.0 49.6 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