Iron in PDB 6d60: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans:
1.13.11.6;

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans, PDB code: 6d60 was solved by Y.Yang, F.Liu, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.23 / 2.22
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.472, 58.472, 232.243, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 25.2

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans (pdb code 6d60). 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 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans, PDB code: 6d60:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans


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 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:61.3 occ:1.00 O A:HOH305 2.4 29.2 1.0 NE2 A:HIS95 2.5 26.4 1.0 ND1 A:HIS51 2.6 30.3 1.0 OE1 A:GLU57 2.6 27.2 1.0 OE2 A:GLU57 2.7 32.2 1.0 CD A:GLU57 3.0 30.2 1.0 CD2 A:HIS95 3.3 25.7 1.0 CE1 A:HIS51 3.5 29.8 1.0 CE1 A:HIS95 3.6 26.0 1.0 CG A:HIS51 3.6 29.5 1.0 CB A:HIS51 3.9 28.0 1.0 OE1 A:GLU110 3.9 29.1 1.0 O A:HOH432 4.3 36.0 1.0 CG A:GLU57 4.5 30.4 1.0 CG A:HIS95 4.6 26.2 1.0 O A:HOH430 4.6 40.7 1.0 ND1 A:HIS95 4.6 25.2 1.0 NE2 A:HIS51 4.6 31.5 1.0 CD2 A:HIS51 4.7 27.6 1.0 OD2 A:ASP53 4.7 28.9 1.0 CD A:GLU110 4.9 31.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans


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 3-Hydroxyanthranilate-3,4-Dioxygenase I142P From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:36.2 occ:1.00 SG A:CYS162 2.4 38.5 1.0 SG A:CYS128 2.5 45.5 1.0 SG A:CYS165 2.5 39.3 1.0 SG A:CYS125 2.6 38.3 1.0 CB A:CYS125 3.1 38.9 1.0 CB A:CYS162 3.2 33.5 1.0 CB A:CYS165 3.4 42.9 1.0 CB A:CYS128 3.5 46.6 1.0 N A:CYS128 3.8 43.0 1.0 N A:CYS165 3.9 44.2 1.0 CA A:CYS128 4.2 44.5 1.0 CA A:CYS165 4.2 43.1 1.0 CB A:HIS164 4.5 45.1 1.0 CB A:ALA127 4.6 47.1 1.0 CB A:GLN167 4.6 40.7 1.0 CA A:CYS125 4.6 38.8 1.0 CA A:CYS162 4.6 37.1 1.0 CB A:HIS130 4.7 41.5 1.0 C A:CYS128 4.7 46.4 1.0 C A:CYS165 4.7 40.4 1.0 O A:HOH373 4.8 33.2 1.0 N A:GLY129 4.8 42.7 1.0 C A:HIS164 4.8 47.5 1.0 C A:ALA127 4.9 47.1 1.0 N A:HIS130 4.9 40.0 1.0 N A:GLN167 4.9 39.7 1.0 N A:GLY166 5.0 40.4 1.0

Y.Yang, F.Liu, A.Liu. Adapting to Oxygen: 3-Hydroxyanthrinilate 3,4-Dioxygenase Employs Loop Dynamics to Accommodate Two Substrates with Disparate Polarities. J. Biol. Chem. V. 293 10415 2018.
ISSN: ESSN 1083-351X
PubMed: 29784877
DOI: 10.1074/JBC.RA118.002698