Iron in PDB 6bvp: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans:
1.13.11.6;

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans, PDB code: 6bvp 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)	42.25 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.405, 58.405, 230.507, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.2

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A From Cupriavidus Metallidurans (pdb code 6bvp). 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 N27A From Cupriavidus Metallidurans, PDB code: 6bvp:
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 N27A 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 N27A From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:47.3 occ:1.00 SG A:CYS162 2.5 46.4 1.0 SG A:CYS128 2.5 56.0 1.0 SG A:CYS125 2.5 44.0 1.0 SG A:CYS165 2.6 53.7 1.0 CB A:CYS125 3.0 44.1 1.0 CB A:CYS162 3.1 41.0 1.0 CB A:CYS165 3.2 52.7 1.0 CB A:CYS128 3.4 57.1 1.0 N A:CYS165 3.8 58.2 1.0 N A:CYS128 3.9 49.7 1.0 CA A:CYS165 4.0 55.6 1.0 CA A:CYS128 4.1 51.1 1.0 CA A:CYS125 4.5 39.7 1.0 CB A:HIS130 4.6 52.8 1.0 C A:CYS165 4.6 53.9 1.0 CA A:CYS162 4.6 41.4 1.0 C A:CYS128 4.7 55.8 1.0 O A:HOH373 4.7 39.5 1.0 CB A:HIS164 4.7 61.4 1.0 N A:GLY166 4.7 50.7 1.0 ND1 A:HIS164 4.7 63.9 1.0 N A:HIS130 4.8 46.2 1.0 N A:GLY129 4.8 53.5 1.0 CB A:ALA127 4.8 52.3 1.0 C A:HIS164 4.9 62.4 1.0 CB A:GLN167 4.9 52.4 1.0 N A:GLN167 4.9 48.8 1.0 C A:ALA127 4.9 53.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase N27A 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 N27A From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:37.4 occ:1.00 NE2 A:HIS95 2.2 29.5 1.0 ND1 A:HIS51 2.3 32.2 1.0 OE2 A:GLU57 2.3 30.2 1.0 O A:HOH303 2.4 37.7 1.0 O A:HOH414 2.5 45.9 1.0 OE1 A:GLU57 2.6 34.4 1.0 O A:HOH371 2.7 51.2 1.0 CD A:GLU57 2.8 35.1 1.0 CD2 A:HIS95 3.1 32.6 1.0 CE1 A:HIS51 3.2 32.0 1.0 CE1 A:HIS95 3.3 28.2 1.0 CG A:HIS51 3.3 31.7 1.0 CB A:HIS51 3.6 29.1 1.0 OE1 A:GLU110 4.1 42.1 1.0 CG A:HIS95 4.3 30.4 1.0 NE2 A:HIS51 4.3 31.3 1.0 ND1 A:HIS95 4.3 28.4 1.0 CG A:GLU57 4.3 30.9 1.0 CD2 A:HIS51 4.4 32.1 1.0 OD2 A:ASP53 4.6 34.0 1.0 CB A:ASP53 4.7 32.0 1.0 CD A:GLU110 4.9 35.5 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