Iron in PDB 7txy: Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria

The structure of Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria, PDB code: 7txy was solved by M.Sutter, L.Doron, C.A.Kerfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.14 / 1.75
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	68.8, 83.855, 110.272, 85.59, 73.1, 89.26
R / Rfree (%)	19.4 / 22.2

The binding sites of Iron atom in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria (pdb code 7txy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria, PDB code: 7txy:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria


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 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:27.4 occ:1.00 NE2 B:HIS42 2.0 28.9 1.0 OE2 B:GLU280 2.1 30.6 1.0 NE2 B:HIS92 2.3 35.5 1.0 CE1 B:HIS42 2.9 28.4 1.0 HD2 B:HIS92 3.0 44.7 1.0 CD2 B:HIS92 3.0 37.2 1.0 HE1 B:HIS42 3.1 34.1 1.0 CD B:GLU280 3.1 29.8 1.0 CD2 B:HIS42 3.1 25.7 1.0 OE1 B:GLU280 3.3 26.6 1.0 HD2 B:HIS42 3.3 30.8 1.0 HG2 B:PRO91 3.4 41.2 1.0 CE1 B:HIS92 3.5 42.0 1.0 HE1 B:HIS92 3.8 50.4 1.0 HE2 B:HIS224 3.9 47.7 1.0 HE1 B:HIS224 4.0 40.4 1.0 ND1 B:HIS42 4.0 27.6 1.0 O B:HOH578 4.1 42.1 1.0 O B:HOH568 4.1 29.2 1.0 HG3 B:PRO91 4.1 41.2 1.0 CG B:HIS42 4.2 27.9 1.0 CG B:PRO91 4.2 34.3 1.0 CG B:HIS92 4.3 28.4 1.0 NE2 B:HIS224 4.4 39.8 1.0 CE1 B:HIS224 4.4 33.7 1.0 ND1 B:HIS92 4.5 34.4 1.0 CG B:GLU280 4.5 30.4 1.0 HB2 B:ALA160 4.5 36.4 1.0 HD2 B:PRO91 4.6 39.1 1.0 HG3 B:GLU280 4.6 36.5 1.0 O B:HOH571 4.6 35.6 1.0 HB1 B:ALA160 4.8 36.4 1.0 HD1 B:HIS42 4.8 33.1 1.0 HG2 B:GLU280 4.9 36.5 1.0 CD B:PRO91 4.9 32.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria


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 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe400 b:40.4 occ:0.84 NE2 D:HIS42 2.1 35.1 1.0 OE2 D:GLU280 2.2 36.9 1.0 NE2 D:HIS92 2.2 41.3 1.0 O D:HOH661 2.6 47.2 1.0 O D:HOH656 2.7 48.4 1.0 O D:HOH647 2.8 51.5 1.0 CE1 D:HIS42 2.9 33.8 1.0 HE1 D:HIS42 2.9 40.6 1.0 CD2 D:HIS92 3.1 48.6 1.0 CD D:GLU280 3.2 32.1 1.0 CE1 D:HIS92 3.2 59.4 1.0 CD2 D:HIS42 3.2 33.5 1.0 HD2 D:HIS92 3.3 58.3 1.0 HE1 D:HIS92 3.4 71.3 1.0 OE1 D:GLU280 3.5 31.5 1.0 HD2 D:HIS42 3.5 40.2 1.0 HG2 D:PRO91 3.7 50.0 1.0 O D:HOH601 4.0 41.3 1.0 HE1 D:HIS224 4.0 47.7 1.0 ND1 D:HIS42 4.0 31.0 1.0 O D:HOH524 4.2 32.1 1.0 NE2 D:HIS224 4.2 45.3 1.0 CG D:HIS42 4.2 31.1 1.0 CG D:HIS92 4.3 38.7 1.0 ND1 D:HIS92 4.3 51.1 1.0 CE1 D:HIS224 4.4 39.8 1.0 O D:HOH652 4.4 36.5 1.0 CG D:GLU280 4.5 29.9 1.0 HB2 D:ALA160 4.5 36.1 1.0 HG3 D:GLU280 4.5 35.8 1.0 HD2 D:PRO91 4.5 48.4 1.0 CG D:PRO91 4.6 41.7 1.0 HD1 D:HIS42 4.8 37.2 1.0 HB1 D:ALA160 5.0 36.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe400 b:37.6 occ:0.79 NE2 F:HIS92 2.1 51.4 1.0 OE2 F:GLU280 2.2 37.0 1.0 NE2 F:HIS42 2.2 30.7 1.0 O F:HOH634 2.6 49.7 1.0 O F:HOH625 2.7 50.4 1.0 O F:HOH635 2.7 46.1 1.0 O F:HOH526 2.9 50.2 1.0 CD2 F:HIS92 3.0 53.1 1.0 CE1 F:HIS42 3.0 29.9 1.0 HD2 F:HIS92 3.1 63.7 1.0 CE1 F:HIS92 3.1 69.4 1.0 HE1 F:HIS42 3.2 35.9 1.0 CD2 F:HIS42 3.2 29.4 1.0 CD F:GLU280 3.2 35.0 1.0 HE1 F:HIS92 3.3 83.2 1.0 HD2 F:HIS42 3.4 35.3 1.0 OE1 F:GLU280 3.5 32.8 1.0 HG2 F:PRO91 3.7 55.3 1.0 HE1 F:HIS224 3.9 39.6 1.0 CG F:HIS92 4.1 44.0 1.0 ND1 F:HIS42 4.1 27.5 1.0 ND1 F:HIS92 4.2 53.4 1.0 O F:HOH570 4.2 30.0 1.0 CG F:HIS42 4.3 28.0 1.0 NE2 F:HIS224 4.3 38.7 1.0 O F:HOH665 4.3 44.3 1.0 O F:HOH545 4.4 35.0 1.0 CE1 F:HIS224 4.4 33.0 1.0 HG3 F:PRO91 4.5 55.3 1.0 CG F:GLU280 4.5 33.6 1.0 HB2 F:ALA160 4.5 40.3 1.0 CG F:PRO91 4.5 46.1 1.0 HG3 F:GLU280 4.6 40.3 1.0 HB1 F:ALA160 4.8 40.3 1.0 HD2 F:PRO91 4.9 54.3 1.0 HD1 F:HIS42 4.9 33.0 1.0 HD1 F:HIS92 5.0 64.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the 2-Aminophenol 1,6-Dioxygenase From the Aro Bacterial Microcompartment of Micromonospora Rosaria within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe400 b:38.5 occ:1.00 NE2 H:HIS42 2.0 31.4 1.0 OE2 H:GLU280 2.2 36.2 1.0 NE2 H:HIS92 2.3 42.3 1.0 CE1 H:HIS42 2.9 30.9 1.0 HE1 H:HIS42 3.0 37.0 1.0 CD2 H:HIS42 3.1 29.6 1.0 CD H:GLU280 3.1 35.1 1.0 CD2 H:HIS92 3.1 46.9 1.0 HD2 H:HIS92 3.2 56.3 1.0 CE1 H:HIS92 3.3 55.4 1.0 O H:HOH528 3.3 50.3 1.0 HD2 H:HIS42 3.4 35.5 1.0 OE1 H:GLU280 3.4 30.9 1.0 HE1 H:HIS92 3.5 66.4 1.0 HG2 H:PRO91 3.6 54.2 1.0 HE1 H:HIS224 3.8 47.2 1.0 HG3 H:PRO91 3.9 54.2 1.0 ND1 H:HIS42 4.0 27.6 1.0 O H:HOH565 4.1 31.5 1.0 O H:HOH671 4.1 61.6 1.0 CG H:HIS42 4.2 26.1 1.0 CG H:PRO91 4.2 45.1 1.0 O H:HOH630 4.3 46.0 1.0 HB2 H:ALA160 4.3 38.5 1.0 CG H:HIS92 4.3 39.5 1.0 CE1 H:HIS224 4.4 39.3 1.0 ND1 H:HIS92 4.4 51.6 1.0 NE2 H:HIS224 4.4 41.9 1.0 CG H:GLU280 4.5 33.5 1.0 O H:HOH600 4.5 31.9 1.0 HG3 H:GLU280 4.6 40.3 1.0 HD2 H:PRO91 4.7 49.7 1.0 HD1 H:HIS42 4.7 33.1 1.0 HB1 H:ALA160 4.9 38.5 1.0 HG2 H:GLU280 5.0 40.3 1.0

L.Doron, M.Sutter, C.A.Kerfeld. Characterization of A Novel Aromatic Substrate Processing Microcompartment in Actinobacteria To Be Published.