Iron in PDB 6bvr: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans:
1.13.11.6;

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans, PDB code: 6bvr 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)	42.59 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.914, 58.914, 232.062, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 24.1

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A From Cupriavidus Metallidurans (pdb code 6bvr). 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 I142A From Cupriavidus Metallidurans, PDB code: 6bvr:
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 I142A 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 I142A From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:34.8 occ:1.00 NE2 A:HIS95 2.2 27.0 1.0 OE2 A:GLU57 2.3 30.8 1.0 ND1 A:HIS51 2.3 32.8 1.0 O A:HOH307 2.3 32.4 1.0 O A:HOH440 2.4 42.3 1.0 OE1 A:GLU57 2.5 36.6 1.0 CD A:GLU57 2.7 32.1 1.0 CE1 A:HIS95 3.2 30.4 1.0 CD2 A:HIS95 3.2 33.0 1.0 CE1 A:HIS51 3.2 33.7 1.0 CG A:HIS51 3.3 33.0 1.0 CB A:HIS51 3.6 31.8 1.0 OE1 A:GLU110 3.9 38.4 1.0 O A:HOH439 4.1 53.2 1.0 O A:HOH454 4.1 39.3 1.0 CG A:GLU57 4.3 36.8 1.0 ND1 A:HIS95 4.3 30.0 1.0 CG A:HIS95 4.3 29.4 1.0 NE2 A:HIS51 4.4 32.9 1.0 CD2 A:HIS51 4.4 29.2 1.0 O A:HOH453 4.5 43.9 1.0 OD2 A:ASP53 4.5 31.5 1.0 CB A:ASP53 4.7 35.9 1.0 CD A:GLU110 4.9 34.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase I142A 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 I142A From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:38.4 occ:1.00 SG A:CYS162 2.4 40.9 1.0 SG A:CYS165 2.5 41.6 1.0 SG A:CYS125 2.5 43.1 1.0 SG A:CYS128 2.6 48.0 1.0 CB A:CYS125 3.1 44.3 1.0 CB A:CYS162 3.2 41.7 1.0 CB A:CYS165 3.5 54.4 1.0 CB A:CYS128 3.6 48.8 1.0 N A:CYS165 3.8 50.1 1.0 N A:CYS128 3.9 42.5 1.0 CA A:CYS165 4.2 51.1 1.0 CA A:CYS128 4.3 45.5 1.0 CB A:HIS164 4.5 51.2 1.0 CB A:ALA127 4.6 46.1 1.0 CA A:CYS125 4.6 39.7 1.0 CB A:GLN167 4.6 41.6 1.0 O A:HOH382 4.6 39.5 1.0 CA A:CYS162 4.6 36.9 1.0 CB A:HIS130 4.7 50.0 1.0 C A:CYS165 4.7 44.4 1.0 C A:HIS164 4.8 52.9 1.0 N A:GLY166 4.8 40.6 1.0 N A:GLN167 4.8 42.6 1.0 C A:CYS128 4.9 45.7 1.0 C A:ALA127 4.9 55.3 1.0 N A:HIS130 5.0 41.9 1.0 N A:GLY129 5.0 45.3 1.0 N A:HIS164 5.0 50.5 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