Iron in PDB 1yfy: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 3-Hydroxyanthranilic Acid

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

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 3-Hydroxyanthranilic Acid, PDB code: 1yfy 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)	49.48 / 3.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.500, 58.500, 230.700, 90.00, 90.00, 120.00
R / Rfree (%)	24.9 / 30.6

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 3-Hydroxyanthranilic Acid (pdb code 1yfy). 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 Complexed with 3-Hydroxyanthranilic Acid, PDB code: 1yfy:
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 Complexed with 3-Hydroxyanthranilic Acid


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 Complexed with 3-Hydroxyanthranilic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:28.5 occ:1.00 O11 A:3HA401 2.0 82.1 1.0 NE2 A:HIS95 2.1 14.7 1.0 ND1 A:HIS51 2.1 24.8 1.0 N10 A:3HA401 2.2 82.3 1.0 OE1 A:GLU57 2.3 13.2 1.0 OE2 A:GLU57 2.6 13.2 1.0 CD2 A:HIS95 2.7 14.7 1.0 C4 A:3HA401 2.8 82.5 1.0 CD A:GLU57 2.8 13.2 1.0 C3 A:3HA401 2.8 82.0 1.0 CE1 A:HIS51 2.9 24.7 1.0 CG A:HIS51 3.2 27.6 1.0 CE1 A:HIS95 3.3 14.7 1.0 OE2 A:GLU110 3.6 35.2 1.0 CB A:HIS51 3.7 29.6 1.0 CG A:HIS95 4.0 14.7 1.0 NE2 A:HIS51 4.0 25.9 1.0 C5 A:3HA401 4.1 83.8 1.0 C2 A:3HA401 4.2 81.9 1.0 ND1 A:HIS95 4.2 14.7 1.0 CD2 A:HIS51 4.2 26.4 1.0 CG A:GLU57 4.3 13.2 1.0 O8 A:3HA401 4.7 81.0 1.0 CD A:GLU110 4.7 34.2 1.0 CB A:ASP53 4.7 32.6 1.0 OD1 A:ASP53 4.9 35.7 1.0 C7 A:3HA401 5.0 81.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 3-Hydroxyanthranilic Acid


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 Complexed with 3-Hydroxyanthranilic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:49.6 occ:1.00 SG A:CYS128 2.2 58.8 1.0 SG A:CYS165 2.4 44.5 1.0 SG A:CYS125 2.4 42.4 1.0 SG A:CYS162 2.5 34.7 1.0 CB A:CYS125 2.8 42.0 1.0 CB A:CYS128 3.0 56.2 1.0 CB A:CYS162 3.3 40.0 1.0 N A:CYS128 3.4 17.4 1.0 CB A:CYS165 3.5 51.1 1.0 CA A:CYS128 3.7 18.7 1.0 N A:CYS165 4.2 71.6 1.0 CA A:CYS125 4.3 58.5 1.0 CA A:CYS165 4.4 69.5 1.0 C A:CYS128 4.5 20.3 1.0 C A:ALA127 4.5 35.0 1.0 N A:GLY129 4.6 42.0 1.0 CB A:GLN167 4.7 61.7 1.0 N A:ALA127 4.7 37.2 1.0 CB A:ALA127 4.7 38.6 1.0 C A:CYS125 4.8 60.9 1.0 CA A:CYS162 4.8 50.2 1.0 N A:GLN167 4.8 0.7 1.0 C A:CYS165 4.9 70.9 1.0 CA A:ALA127 4.9 35.6 1.0 N A:GLY166 4.9 86.8 1.0 O A:GLN167 4.9 0.8 1.0 N A:HIS130 5.0 46.9 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