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Iron in PDB 1yfw: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2:
1.13.11.6;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2, PDB code: 1yfw 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) 30.65 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.200, 58.200, 231.700, 90.00, 90.00, 120.00
R / Rfree (%) 23.4 / 26.8

Other elements in 1yfw:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2 (pdb code 1yfw). 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 4-Chloro-3-Hydroxyanthranilic Acid and O2, PDB code: 1yfw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1yfw

Go back to Iron Binding Sites List in 1yfw
Iron binding site 1 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2


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 4-Chloro-3-Hydroxyanthranilic Acid and O2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:42.7
occ:1.00
OAD A:4AA401 2.0 43.7 1.0
O2 A:OXY310 2.1 53.9 1.0
ND1 A:HIS51 2.1 44.5 1.0
NE2 A:HIS95 2.2 40.0 1.0
OE1 A:GLU57 2.3 46.9 1.0
OE2 A:GLU57 2.8 44.5 1.0
CD A:GLU57 2.9 44.4 1.0
CAK A:4AA401 3.0 43.5 1.0
CE1 A:HIS51 3.1 42.3 1.0
CG A:HIS51 3.1 43.6 1.0
CE1 A:HIS95 3.2 42.2 1.0
CD2 A:HIS95 3.2 41.4 1.0
O1 A:OXY310 3.2 60.4 1.0
NAA A:4AA401 3.3 44.7 1.0
CB A:HIS51 3.5 42.1 1.0
CAI A:4AA401 3.5 44.4 1.0
OE2 A:GLU110 3.9 44.9 1.0
CAJ A:4AA401 4.0 44.4 1.0
NE2 A:HIS51 4.2 46.1 1.0
CD2 A:HIS51 4.2 44.9 1.0
ND1 A:HIS95 4.3 41.5 1.0
CG A:HIS95 4.3 41.9 1.0
CG A:GLU57 4.4 41.6 1.0
CLAE A:4AA401 4.5 43.2 1.0
OD1 A:ASP53 4.5 41.0 1.0
CB A:ASP53 4.6 42.2 1.0
CAL A:4AA401 4.8 44.3 1.0
CD A:GLU110 4.8 46.4 1.0
CA A:HIS51 4.9 42.6 1.0

Iron binding site 2 out of 2 in 1yfw

Go back to Iron Binding Sites List in 1yfw
Iron binding site 2 out of 2 in the Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and O2


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 4-Chloro-3-Hydroxyanthranilic Acid and O2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:58.9
occ:1.00
SG A:CYS128 2.3 65.9 1.0
SG A:CYS125 2.4 59.4 1.0
SG A:CYS162 2.4 60.1 1.0
SG A:CYS165 2.4 74.2 1.0
CB A:CYS125 2.9 58.4 1.0
CB A:CYS162 3.2 62.5 1.0
CB A:CYS128 3.4 66.7 1.0
N A:CYS128 3.5 66.8 1.0
CB A:CYS165 3.7 74.0 1.0
CA A:CYS128 4.0 66.3 1.0
N A:CYS165 4.0 74.3 1.0
CB A:ALA127 4.2 68.4 1.0
CB A:GLN167 4.3 67.3 1.0
CA A:CYS165 4.4 73.7 1.0
CA A:CYS125 4.4 59.2 1.0
CB A:HIS164 4.5 78.6 1.0
N A:GLY129 4.5 67.2 1.0
C A:ALA127 4.6 67.8 1.0
C A:CYS128 4.7 66.2 1.0
CA A:CYS162 4.7 63.4 1.0
CB A:HIS130 4.7 68.7 1.0
CD2 A:HIS164 4.8 82.0 1.0
CA A:ALA127 4.8 68.1 1.0
N A:HIS130 4.8 63.6 1.0
N A:ALA127 4.9 68.7 1.0
C A:HIS164 4.9 75.4 1.0
C A:CYS165 4.9 72.3 1.0
N A:GLN167 4.9 66.8 1.0
C A:CYS125 5.0 61.5 1.0

Reference:

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
Page generated: Wed Jul 16 22:41:07 2025

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