Iron in PDB 1fz3: Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes)

All present enzymatic activity of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes):
1.14.13.25;

The structure of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes), PDB code: 1fz3 was solved by D.A.Whittington, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.99 / 2.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.370, 172.120, 221.390, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.8

The structure of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Iron atom in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) (pdb code 1fz3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes), PDB code: 1fz3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5001 b:28.1 occ:1.00 O A:HOH9002 1.9 43.2 1.0 OE1 A:GLU114 2.0 31.4 1.0 ND1 A:HIS147 2.2 17.9 1.0 OE2 A:GLU144 2.3 28.3 1.0 O A:HOH9216 2.3 27.1 1.0 O2 A:FMT9001 2.4 41.2 1.0 CD A:GLU114 3.0 29.0 1.0 CE1 A:HIS147 3.1 21.8 1.0 FE A:FE5002 3.2 36.5 1.0 CD A:GLU144 3.2 27.6 1.0 CG A:HIS147 3.3 17.8 1.0 OE2 A:GLU114 3.3 33.8 1.0 C A:FMT9001 3.4 48.9 1.0 OE1 A:GLU144 3.4 27.4 1.0 CB A:HIS147 3.7 18.0 1.0 OE2 A:GLU243 4.2 53.6 1.0 NE2 A:HIS147 4.2 22.0 1.0 O1 A:FMT9001 4.3 53.0 1.0 CE1 A:HIS246 4.3 30.7 1.0 CD2 A:HIS147 4.4 22.3 1.0 CG A:GLU114 4.4 28.2 1.0 ND1 A:HIS246 4.4 33.4 1.0 OE1 A:GLU243 4.6 45.5 1.0 CG A:GLU144 4.6 20.7 1.0 OE2 A:GLU209 4.7 45.3 1.0 CB A:GLU114 4.7 20.6 1.0 CA A:GLU144 4.7 19.0 1.0 CG2 A:ILE239 4.7 18.7 1.0 CA A:GLU114 4.8 23.0 1.0 CD A:GLU243 4.8 48.9 1.0

Iron binding site 2 out of 4 in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe5002 b:36.5 occ:1.00 O A:HOH9002 1.9 43.2 1.0 OE2 A:GLU209 2.0 45.3 1.0 ND1 A:HIS246 2.1 33.4 1.0 OE1 A:GLU243 2.3 45.5 1.0 OE1 A:GLU144 2.5 27.4 1.0 O2 A:FMT9001 2.6 41.2 1.0 CE1 A:HIS246 2.9 30.7 1.0 CD A:GLU209 3.1 44.7 1.0 CD A:GLU243 3.1 48.9 1.0 FE A:FE5001 3.2 28.1 1.0 CG A:HIS246 3.2 31.7 1.0 OE2 A:GLU243 3.2 53.6 1.0 CD A:GLU144 3.5 27.6 1.0 OE2 A:GLU144 3.7 28.3 1.0 C A:FMT9001 3.7 48.9 1.0 NE2 A:GLN140 3.7 26.6 1.0 CB A:HIS246 3.7 31.4 1.0 OE1 A:GLU209 3.9 46.8 1.0 CG A:GLU209 4.0 45.4 1.0 NE2 A:HIS246 4.1 31.1 1.0 O A:HOH9216 4.2 27.1 1.0 CD2 A:HIS246 4.3 29.9 1.0 O1 A:FMT9001 4.5 53.0 1.0 CD A:GLN140 4.5 29.0 1.0 CG A:GLU243 4.5 45.0 1.0 ND1 A:HIS147 4.6 17.9 1.0 CE1 A:HIS147 4.6 21.8 1.0 CG A:GLN140 4.7 25.4 1.0 CG A:GLU144 4.9 20.7 1.0 CB A:GLU209 4.9 41.6 1.0 OE1 A:GLU114 4.9 31.4 1.0

Iron binding site 3 out of 4 in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5003 b:25.9 occ:1.00 O B:HOH5005 2.0 34.4 1.0 OE1 B:GLU114 2.0 24.4 1.0 OE2 B:GLU144 2.2 25.5 1.0 ND1 B:HIS147 2.2 22.8 1.0 O B:HOH5006 2.4 31.8 1.0 O B:HOH5277 2.6 35.9 1.0 CD B:GLU114 3.0 24.1 1.0 CD B:GLU144 3.1 25.0 1.0 CE1 B:HIS147 3.2 23.5 1.0 FE B:FE5004 3.2 39.4 1.0 CG B:HIS147 3.3 21.6 1.0 OE2 B:GLU114 3.3 33.1 1.0 OE1 B:GLU144 3.4 25.8 1.0 CB B:HIS147 3.6 21.9 1.0 NE2 B:HIS147 4.3 25.0 1.0 OE2 B:GLU243 4.3 48.3 1.0 CG B:GLU114 4.3 24.0 1.0 CD2 B:HIS147 4.4 21.6 1.0 CE1 B:HIS246 4.4 30.0 1.0 ND1 B:HIS246 4.5 31.4 1.0 CG B:GLU144 4.5 22.6 1.0 CA B:GLU144 4.6 21.5 1.0 O B:HOH5276 4.6 45.0 1.0 CB B:GLU114 4.7 23.0 1.0 CG2 B:ILE239 4.7 23.7 1.0 CA B:GLU114 4.7 24.5 1.0 OE1 B:GLU243 4.7 40.9 1.0 OE1 B:GLU209 4.8 46.0 1.0 CB B:GLU144 4.9 21.9 1.0 CD B:GLU243 5.0 45.5 1.0

Iron binding site 4 out of 4 in the Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Methane Monooxygenase Hydroxylase, Form III Soak at pH 6.2 (0.1 M Pipes) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5004 b:39.4 occ:1.00 O B:HOH5005 2.0 34.4 1.0 OE1 B:GLU209 2.1 46.0 1.0 ND1 B:HIS246 2.3 31.4 1.0 OE1 B:GLU243 2.5 40.9 1.0 OE1 B:GLU144 2.5 25.8 1.0 O B:HOH5277 2.8 35.9 1.0 CD B:GLU209 3.0 47.8 1.0 CE1 B:HIS246 3.1 30.0 1.0 FE B:FE5003 3.2 25.9 1.0 CD B:GLU243 3.3 45.5 1.0 OE2 B:GLU243 3.4 48.3 1.0 CG B:HIS246 3.4 32.0 1.0 CD B:GLU144 3.4 25.0 1.0 OE2 B:GLU144 3.6 25.5 1.0 CG B:GLU209 3.6 44.9 1.0 NE2 B:GLN140 3.7 27.9 1.0 CB B:HIS246 3.8 30.4 1.0 OE2 B:GLU209 3.8 47.0 1.0 O B:HOH5006 4.2 31.8 1.0 NE2 B:HIS246 4.3 30.7 1.0 CD2 B:HIS246 4.5 28.8 1.0 CD B:GLN140 4.5 31.7 1.0 ND1 B:HIS147 4.6 22.8 1.0 CG B:GLN140 4.7 27.5 1.0 CE1 B:HIS147 4.7 23.5 1.0 CG B:GLU243 4.7 43.6 1.0 O B:HOH5276 4.8 45.0 1.0 CG B:GLU144 4.8 22.6 1.0 CB B:GLU209 4.8 46.3 1.0 OE1 B:GLU114 4.9 24.4 1.0

D.A.Whittington, S.J.Lippard. Crystal Structures of the Soluble Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath) Demonstrating Geometrical Variability at the Dinuclear Iron Active Site. J.Am.Chem.Soc. V. 123 827 2001.
ISSN: ISSN 0002-7863
PubMed: 11456616
DOI: 10.1021/JA003240N