Iron in PDB 1t0r: Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound

The structure of Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound, PDB code: 1t0r was solved by M.H.Sazinsky, J.Bard, A.Di Donato, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.705, 182.705, 67.784, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 26.7

The binding sites of Iron atom in the Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound (pdb code 1t0r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound, PDB code: 1t0r:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe499 b:40.0 occ:1.00 O A:OH501 1.9 30.4 1.0 OE2 A:GLU197 1.9 43.6 1.0 N1 A:AZI502 2.1 54.9 1.0 OE2 A:GLU134 2.3 33.5 1.0 NE2 A:HIS234 2.3 33.0 1.0 OE2 A:GLU231 2.4 50.7 1.0 CD A:GLU197 3.0 45.4 1.0 FE A:FE500 3.0 35.0 1.0 CD2 A:HIS234 3.2 32.7 1.0 CD A:GLU231 3.2 51.9 1.0 CD A:GLU134 3.2 31.6 1.0 N2 A:AZI502 3.3 58.5 1.0 CE1 A:HIS234 3.3 36.0 1.0 OE1 A:GLU231 3.3 54.0 1.0 O A:HOH504 3.4 39.2 1.0 OE1 A:GLU134 3.5 27.7 1.0 O A:HOH503 3.7 36.9 1.0 CG A:GLU197 3.8 43.1 1.0 OE1 A:GLU197 3.9 45.7 1.0 N3 A:AZI502 4.3 55.2 1.0 CG A:HIS234 4.4 33.6 1.0 ND1 A:HIS234 4.4 35.4 1.0 CG A:GLU134 4.5 29.4 1.0 ND1 A:HIS137 4.6 35.6 1.0 CG A:GLU231 4.6 49.5 1.0 CE1 A:HIS137 4.7 40.2 1.0 CB A:GLU197 4.7 42.3 1.0 OE1 A:GLU104 4.7 40.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxuylase From Pseudomonas Stutzeri-Azide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:35.0 occ:1.00 O A:HOH503 1.7 36.9 1.0 OE1 A:GLU134 2.0 27.7 1.0 ND1 A:HIS137 2.2 35.6 1.0 OE1 A:GLU104 2.2 40.3 1.0 O A:OH501 2.4 30.4 1.0 N1 A:AZI502 2.6 54.9 1.0 CD A:GLU134 2.9 31.6 1.0 FE A:FE499 3.0 40.0 1.0 CE1 A:HIS137 3.0 40.2 1.0 OE2 A:GLU134 3.2 33.5 1.0 CD A:GLU104 3.2 39.2 1.0 CG A:HIS137 3.2 36.5 1.0 OE2 A:GLU104 3.4 38.6 1.0 N2 A:AZI502 3.5 58.5 1.0 CB A:HIS137 3.7 32.8 1.0 OE1 A:GLU231 4.1 54.0 1.0 NE2 A:HIS137 4.2 38.9 1.0 CG A:GLU134 4.3 29.4 1.0 CD2 A:HIS137 4.3 37.0 1.0 N3 A:AZI502 4.4 55.2 1.0 NE2 A:HIS234 4.5 33.0 1.0 CA A:GLU134 4.6 34.1 1.0 CG A:GLU104 4.6 38.5 1.0 OE2 A:GLU197 4.7 43.6 1.0 OE2 A:GLU231 4.7 50.7 1.0 CB A:GLU134 4.7 31.3 1.0 CE1 A:HIS234 4.8 36.0 1.0 CD A:GLU231 4.8 51.9 1.0 CG2 A:ILE227 4.9 44.4 1.0 CB A:GLU104 4.9 38.5 1.0

M.H.Sazinsky, J.Bard, A.Di Donato, S.J.Lippard. Crystal Structure of the Toluene/O-Xylene Monooxygenase Hydroxylase From Pseudomonas Stutzeri OX1: Insight Into the Substrate Specificity, Substrate Channeling, and Active Site Tuning of Multicomponent Monooxygenases. J.Biol.Chem. V. 279 30600 2004.
ISSN: ISSN 0021-9258
PubMed: 15096510
DOI: 10.1074/JBC.M400710200