Iron in PDB 2inp: Structure of the Phenol Hydroxylase-Regulatory Protein Complex

The structure of Structure of the Phenol Hydroxylase-Regulatory Protein Complex, PDB code: 2inp was solved by M.S.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 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.751, 146.305, 190.020, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.6

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

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of the Phenol Hydroxylase-Regulatory Protein Complex (pdb code 2inp). 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 Hydroxylase-Regulatory Protein Complex, PDB code: 2inp:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of the Phenol Hydroxylase-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 Hydroxylase-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:45.7 occ:1.00 OE2 A:GLU233 2.1 51.0 1.0 OE1 A:GLU233 2.1 40.4 1.0 OE2 A:GLU199 2.2 58.6 1.0 CD A:GLU233 2.4 46.3 1.0 ND1 A:HIS236 2.5 28.8 1.0 OE1 A:GLU199 2.7 54.4 1.0 CD A:GLU199 2.8 46.9 1.0 OE1 A:GLU138 2.9 40.2 1.0 O A:HOH677 3.2 48.5 1.0 FE A:FE3 3.3 41.5 1.0 CE1 A:HIS236 3.3 29.4 1.0 CG A:HIS236 3.5 30.9 1.0 O A:HOH750 3.5 26.3 1.0 CB A:HIS236 3.8 29.6 1.0 NE2 A:GLN134 3.8 35.1 1.0 CD A:GLU138 3.8 38.5 1.0 CG A:GLU233 4.0 38.5 1.0 OE2 A:GLU138 4.0 40.7 1.0 CE1 A:HIS141 4.2 26.6 1.0 CG A:GLU199 4.2 42.1 1.0 ND1 A:HIS141 4.4 26.4 1.0 NE2 A:HIS236 4.5 36.0 1.0 O A:HOH580 4.5 39.0 1.0 CD2 A:HIS236 4.6 33.5 1.0 CA A:GLU233 4.8 34.7 1.0 O A:HOH678 4.8 17.5 1.0 CD A:GLN134 4.8 35.2 1.0 CB A:GLU233 4.9 35.1 1.0 CB A:GLU199 4.9 36.8 1.0

Iron binding site 2 out of 4 in the Structure of the Phenol Hydroxylase-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 Hydroxylase-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3 b:41.5 occ:1.00 O A:HOH750 1.9 26.3 1.0 OE2 A:GLU108 2.2 36.9 1.0 OE2 A:GLU138 2.2 40.7 1.0 ND1 A:HIS141 2.3 26.4 1.0 O A:HOH678 2.8 17.5 1.0 CD A:GLU108 3.1 31.9 1.0 CE1 A:HIS141 3.1 26.6 1.0 CD A:GLU138 3.1 38.5 1.0 OE1 A:GLU108 3.3 37.8 1.0 OE1 A:GLU138 3.3 40.2 1.0 FE A:FE1 3.3 45.7 1.0 OE2 A:GLU233 3.4 51.0 1.0 CG A:HIS141 3.4 25.8 1.0 O A:HOH747 3.7 68.6 1.0 CB A:HIS141 3.9 23.2 1.0 O A:HOH677 3.9 48.5 1.0 O A:HOH748 4.2 42.6 1.0 OE2 A:GLU199 4.2 58.6 1.0 NE2 A:HIS141 4.3 23.6 1.0 CD A:GLU233 4.4 46.3 1.0 CG A:GLU108 4.5 31.6 1.0 CD2 A:HIS141 4.5 21.2 1.0 CG A:GLU138 4.6 32.1 1.0 CA A:GLU138 4.6 28.7 1.0 OE1 A:GLU233 4.8 40.4 1.0 CB A:GLU108 4.8 28.7 1.0 CB A:GLU138 4.8 28.3 1.0

Iron binding site 3 out of 4 in the Structure of the Phenol Hydroxylase-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 Hydroxylase-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe4 b:37.9 occ:1.00 OE2 B:GLU138 2.0 30.0 1.0 OE1 B:GLU108 2.2 37.3 1.0 ND1 B:HIS141 2.2 36.5 1.0 O B:HOH668 2.4 32.2 1.0 O B:HOH501 2.6 34.9 1.0 CD B:GLU138 2.8 33.9 1.0 OE1 B:GLU138 3.1 43.2 1.0 CE1 B:HIS141 3.1 29.9 1.0 CD B:GLU108 3.2 36.2 1.0 CG B:HIS141 3.3 29.4 1.0 OE2 B:GLU108 3.6 33.8 1.0 FE B:FE5 3.6 60.8 1.0 CB B:HIS141 3.7 27.8 1.0 O B:HOH679 3.9 45.9 1.0 OE2 B:GLU233 4.1 59.2 1.0 CG B:GLU138 4.2 27.5 1.0 OE1 B:GLU199 4.3 60.4 1.0 NE2 B:HIS141 4.3 36.0 1.0 O B:HOH678 4.3 46.2 1.0 CD2 B:HIS141 4.4 36.0 1.0 CA B:GLU138 4.5 25.8 1.0 CG B:GLU108 4.5 32.1 1.0 CB B:GLU138 4.6 24.1 1.0 CB B:GLU108 4.7 30.8 1.0 CA B:GLU108 4.9 30.3 1.0 ND1 B:HIS236 4.9 50.5 1.0

Iron binding site 4 out of 4 in the Structure of the Phenol Hydroxylase-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 Hydroxylase-Regulatory Protein Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe5 b:60.8 occ:1.00 OE1 B:GLU199 2.2 60.4 1.0 OE2 B:GLU233 2.3 59.2 1.0 OE1 B:GLU233 2.5 55.8 1.0 ND1 B:HIS236 2.6 50.5 1.0 CD B:GLU233 2.7 52.8 1.0 CD B:GLU199 3.0 58.4 1.0 OE1 B:GLU138 3.1 43.2 1.0 O B:HOH679 3.2 45.9 1.0 CG B:GLU199 3.3 49.3 1.0 CG B:HIS236 3.4 49.6 1.0 CB B:HIS236 3.5 48.3 1.0 CE1 B:HIS236 3.6 48.4 1.0 FE B:FE4 3.6 37.9 1.0 NE2 B:GLN134 3.8 44.7 1.0 O B:HOH668 3.8 32.2 1.0 CE1 B:HIS141 4.1 29.9 1.0 CD B:GLU138 4.2 33.9 1.0 OE2 B:GLU199 4.2 63.2 1.0 CG B:GLU233 4.3 48.6 1.0 OE2 B:GLU138 4.5 30.0 1.0 ND1 B:HIS141 4.5 36.5 1.0 O B:HOH501 4.5 34.9 1.0 CD2 B:HIS236 4.6 51.1 1.0 CB B:GLU199 4.6 40.2 1.0 NE2 B:HIS236 4.7 50.2 1.0 CA B:GLU233 4.8 45.2 1.0 O B:HOH742 5.0 48.5 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