Iron in PDB 2inn: Structure of the Phenol Hydroxyalse-Regulatory Protein Complex

The structure of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex, PDB code: 2inn was solved by M.H.Sazinsky, P.W.Dunten, M.S.Mccormick, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.453, 146.925, 189.787, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.2

The structure of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex also contains other interesting chemical elements:

Molybdenum	(Mo)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex (pdb code 2inn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex, PDB code: 2inn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe512 b:35.7 occ:1.00 OE2 A:GLU233 2.1 42.7 1.0 OE2 A:GLU199 2.1 41.5 1.0 ND1 A:HIS236 2.2 33.6 1.0 OE1 A:GLU199 2.3 42.0 1.0 CD A:GLU199 2.6 37.6 1.0 OE1 A:GLU138 2.6 23.2 1.0 CE1 A:HIS236 3.0 32.0 1.0 FE A:FE513 3.1 37.9 1.0 CD A:GLU233 3.1 43.4 1.0 O A:HOH593 3.4 26.5 1.0 CG A:HIS236 3.4 29.7 1.0 CD A:GLU138 3.4 26.4 1.0 OE1 A:GLU233 3.4 47.9 1.0 OE2 A:GLU138 3.5 32.0 1.0 CE1 A:HIS141 3.7 28.0 1.0 CB A:HIS236 3.9 28.4 1.0 NE2 A:GLN134 4.0 28.2 1.0 ND1 A:HIS141 4.1 28.8 1.0 CG A:GLU199 4.1 36.8 1.0 O A:HOH517 4.1 16.7 1.0 NE2 A:HIS236 4.2 26.3 1.0 CD2 A:HIS236 4.4 27.4 1.0 CG A:GLU233 4.6 34.1 1.0 O A:HOH569 4.7 29.2 1.0 CG A:GLU138 4.8 19.3 1.0 NE2 A:HIS141 4.9 23.7 1.0 CA A:GLU233 4.9 29.6 1.0 CD A:GLN134 5.0 29.2 1.0 CB A:GLU199 5.0 35.1 1.0

Iron binding site 2 out of 4 in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe513 b:37.9 occ:1.00 O A:HOH593 1.9 26.5 1.0 OE2 A:GLU138 2.1 32.0 1.0 OE2 A:GLU108 2.1 33.4 1.0 ND1 A:HIS141 2.1 28.8 1.0 O A:HOH517 2.5 16.7 1.0 CD A:GLU108 2.8 28.9 1.0 OE1 A:GLU108 2.8 32.1 1.0 CE1 A:HIS141 2.9 28.0 1.0 CD A:GLU138 3.1 26.4 1.0 FE A:FE512 3.1 35.7 1.0 CG A:HIS141 3.2 27.2 1.0 OE1 A:GLU138 3.3 23.2 1.0 CB A:HIS141 3.7 22.7 1.0 OE1 A:GLU199 3.9 42.0 1.0 OE1 A:GLU233 3.9 47.9 1.0 NE2 A:HIS141 4.1 23.7 1.0 CG A:GLU108 4.3 26.0 1.0 OE2 A:GLU233 4.3 42.7 1.0 CD2 A:HIS141 4.3 22.0 1.0 CG A:GLU138 4.4 19.3 1.0 CD A:GLU233 4.5 43.4 1.0 CA A:GLU138 4.7 21.4 1.0 CB A:GLU138 4.8 20.4 1.0 CE1 A:HIS236 4.8 32.0 1.0 CD A:GLU199 4.8 37.6 1.0 ND1 A:HIS236 4.8 33.6 1.0 OE2 A:GLU199 4.9 41.5 1.0 CB A:GLU108 5.0 24.9 1.0

Iron binding site 3 out of 4 in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe512 b:28.8 occ:1.00 OE1 B:GLU108 2.1 31.0 1.0 OE2 B:GLU138 2.2 32.9 1.0 ND1 B:HIS141 2.2 31.9 1.0 O B:HOH526 2.6 37.4 1.0 CD B:GLU138 2.8 27.0 1.0 OE1 B:GLU138 2.9 31.6 1.0 CE1 B:HIS141 2.9 34.9 1.0 FE B:FE513 3.0 47.6 1.0 OE1 B:GLU233 3.0 49.8 1.0 CD B:GLU108 3.0 30.9 1.0 O B:HOH525 3.1 18.8 1.0 CG B:HIS141 3.3 30.6 1.0 OE2 B:GLU108 3.3 29.0 1.0 CB B:HIS141 3.9 26.8 1.0 NE2 B:HIS141 4.1 26.1 1.0 CG B:GLU138 4.2 24.7 1.0 CD B:GLU233 4.2 48.6 1.0 CD2 B:HIS141 4.3 29.9 1.0 CG B:GLU108 4.4 25.4 1.0 OE1 B:GLU199 4.4 49.4 1.0 CA B:GLU138 4.7 26.0 1.0 CB B:GLU138 4.7 26.6 1.0 CB B:GLU108 4.8 23.3 1.0 CE1 B:HIS236 4.9 44.6 1.0 ND1 B:HIS236 4.9 43.5 1.0

Iron binding site 4 out of 4 in the Structure of the Phenol Hydroxyalse-Regulatory Protein Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Phenol Hydroxyalse-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe513 b:47.6 occ:1.00 OE1 B:GLU233 1.7 49.8 1.0 OE1 B:GLU199 2.0 49.4 1.0 OE1 B:GLU138 2.2 31.6 1.0 CD B:GLU233 2.5 48.6 1.0 ND1 B:HIS236 2.5 43.5 1.0 OE2 B:GLU233 2.6 44.8 1.0 FE B:FE512 3.0 28.8 1.0 CD B:GLU199 3.1 45.9 1.0 CE1 B:HIS236 3.2 44.6 1.0 CD B:GLU138 3.2 27.0 1.0 CG B:HIS236 3.5 44.2 1.0 CG B:GLU199 3.6 40.5 1.0 OE2 B:GLU138 3.7 32.9 1.0 O B:HOH525 3.8 18.8 1.0 NE2 B:GLN134 3.8 45.5 1.0 CB B:HIS236 3.9 43.8 1.0 CG B:GLU233 3.9 47.8 1.0 CE1 B:HIS141 4.0 34.9 1.0 OE2 B:GLU199 4.2 48.0 1.0 ND1 B:HIS141 4.2 31.9 1.0 NE2 B:HIS236 4.3 41.1 1.0 CG B:GLU138 4.4 24.7 1.0 CD2 B:HIS236 4.5 44.5 1.0 O B:HOH526 4.6 37.4 1.0 OE1 B:GLU108 4.8 31.0 1.0 CA B:GLU233 4.9 45.5 1.0 CB B:GLU233 5.0 45.4 1.0 CD B:GLN134 5.0 45.7 1.0

M.H.Sazinsky, P.W.Dunten, M.S.Mccormick, A.Didonato, S.J.Lippard. X-Ray Structure of A Hydroxylase-Regulatory Protein Complex From A Hydrocarbon-Oxidizing Multicomponent Monooxygenase, Pseudomonas Sp. OX1 Phenol Hydroxylase. Biochemistry V. 45 15392 2006.
ISSN: ISSN 0006-2960
PubMed: 17176061
DOI: 10.1021/BI0618969