Iron in PDB 1yfu: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans

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

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans, PDB code: 1yfu was solved by Y.Zhang, K.L.Colabroy, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.11 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.100, 58.100, 230.700, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans (pdb code 1yfu). 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 From Ralstonia Metallidurans, PDB code: 1yfu:
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 From Ralstonia 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 From Ralstonia Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:34.4 occ:1.00 ND1 A:HIS51 2.2 29.8 1.0 OE2 A:GLU57 2.2 36.0 1.0 NE2 A:HIS95 2.2 26.4 1.0 O A:HOH402 2.4 31.7 1.0 O A:HOH401 2.4 42.3 1.0 OE1 A:GLU57 2.7 32.7 1.0 CD A:GLU57 2.8 35.2 1.0 CE1 A:HIS51 3.1 29.7 1.0 CE1 A:HIS95 3.1 25.7 1.0 CG A:HIS51 3.2 28.4 1.0 CD2 A:HIS95 3.2 25.7 1.0 CB A:HIS51 3.5 27.7 1.0 OE1 A:GLU110 4.1 40.7 1.0 NE2 A:HIS51 4.2 29.7 1.0 ND1 A:HIS95 4.2 25.0 1.0 CG A:GLU57 4.3 35.8 1.0 O A:HOH497 4.3 51.7 1.0 CD2 A:HIS51 4.3 28.2 1.0 CG A:HIS95 4.3 25.9 1.0 OD2 A:ASP53 4.4 30.1 1.0 CB A:ASP53 4.7 29.4 1.0 CD A:GLU110 4.9 39.4 1.0 CA A:HIS51 5.0 29.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia 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 From Ralstonia Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:41.5 occ:1.00 SG A:CYS128 2.3 53.7 1.0 SG A:CYS162 2.4 41.6 1.0 SG A:CYS125 2.5 43.3 1.0 SG A:CYS165 2.5 50.9 1.0 CB A:CYS125 3.0 40.9 1.0 CB A:CYS162 3.2 40.8 1.0 CB A:CYS165 3.4 52.4 1.0 CB A:CYS128 3.5 52.3 1.0 N A:CYS165 3.7 53.7 1.0 N A:CYS128 3.8 51.9 1.0 CA A:CYS165 4.1 52.9 1.0 CA A:CYS128 4.2 51.9 1.0 CB A:HIS164 4.4 56.6 1.0 CB A:ALA127 4.5 51.9 1.0 CA A:CYS125 4.5 41.3 1.0 CB A:HIS130 4.6 48.3 1.0 CB A:GLN167 4.6 50.9 1.0 CA A:CYS162 4.7 42.6 1.0 C A:HIS164 4.7 54.5 1.0 C A:CYS165 4.7 52.4 1.0 N A:GLY129 4.8 50.1 1.0 C A:CYS128 4.8 51.0 1.0 O A:HOH462 4.8 38.7 1.0 C A:ALA127 4.8 53.2 1.0 N A:HIS130 4.8 46.1 1.0 N A:GLY166 4.8 51.6 1.0 CD2 A:HIS164 4.9 59.2 1.0 N A:GLN167 4.9 48.6 1.0 CA A:HIS164 4.9 54.8 1.0 N A:HIS164 5.0 53.6 1.0

Y.Zhang, K.L.Colabroy, T.P.Begley, S.E.Ealick. Structural Studies on 3-Hydroxyanthranilate-3,4-Dioxygenase: the Catalytic Mechanism of A Complex Oxidation Involved in Nad Biosynthesis. Biochemistry V. 44 7632 2005.
ISSN: ISSN 0006-2960
PubMed: 15909978
DOI: 10.1021/BI047353L