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Iron in PDB 1yfx: Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and No

Enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and No

All present enzymatic activity of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and No:
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 No, PDB code: 1yfx 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) 33.95 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 57.900, 57.900, 230.600, 90.00, 90.00, 120.00
R / Rfree (%) 24.4 / 29.1

Other elements in 1yfx:

The structure of Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Ralstonia Metallidurans Complexed with 4-Chloro-3-Hydroxyanthranilic Acid and No 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 No (pdb code 1yfx). 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 No, PDB code: 1yfx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1yfx

Go back to Iron Binding Sites List in 1yfx
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 No


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 No within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe300

b:41.8
occ:1.00
 OAD A:4AA401 2.1 40.0 1.0
N A:NO310 2.1 38.7 1.0
NE2 A:HIS95 2.1 37.4 1.0
OE1 A:GLU57 2.2 45.0 1.0
ND1 A:HIS51 2.2 42.8 1.0
OE2 A:GLU57 2.7 41.4 1.0
CD A:GLU57 2.8 41.9 1.0
CE1 A:HIS95 3.0 37.3 1.0
CAK A:4AA401 3.1 38.9 1.0
CE1 A:HIS51 3.1 40.9 1.0
CG A:HIS51 3.1 42.2 1.0
CD2 A:HIS95 3.2 34.6 1.0
O A:NO310 3.3 42.2 1.0
CB A:HIS51 3.5 39.2 1.0
NAA A:4AA401 3.5 37.2 1.0
CAI A:4AA401 3.7 40.9 1.0
OE2 A:GLU110 3.9 42.1 1.0
CAJ A:4AA401 4.1 38.2 1.0
ND1 A:HIS95 4.2 38.1 1.0
NE2 A:HIS51 4.2 45.7 1.0
CD2 A:HIS51 4.2 44.9 1.0
CG A:GLU57 4.3 39.9 1.0
CG A:HIS95 4.3 38.4 1.0
OD1 A:ASP53 4.4 39.8 1.0
CLAE A:4AA401 4.4 31.4 1.0
CB A:ASP53 4.5 41.2 1.0
CD A:GLU110 4.8 42.2 1.0
CA A:HIS51 4.9 41.4 1.0
CG A:ASP53 4.9 40.3 1.0
CAL A:4AA401 5.0 38.7 1.0

Iron binding site 2 out of 2 in 1yfx

Go back to Iron Binding Sites List in 1yfx
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 No


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 No within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:58.3
occ:1.00
 SG A:CYS128 2.3 63.8 1.0
SG A:CYS125 2.4 56.1 1.0
SG A:CYS162 2.4 58.7 1.0
SG A:CYS165 2.6 69.0 1.0
CB A:CYS125 2.9 56.2 1.0
CB A:CYS162 3.1 59.6 1.0
N A:CYS128 3.5 64.6 1.0
CB A:CYS128 3.5 64.2 1.0
CB A:CYS165 3.6 67.3 1.0
CA A:CYS128 4.0 64.1 1.0
N A:CYS165 4.0 67.9 1.0
CB A:ALA127 4.2 64.2 1.0
CB A:GLN167 4.4 63.1 1.0
CA A:CYS165 4.4 67.7 1.0
CA A:CYS125 4.4 56.5 1.0
C A:ALA127 4.5 65.1 1.0
CA A:CYS162 4.6 60.5 1.0
C A:CYS128 4.6 64.6 1.0
N A:GLY129 4.6 65.2 1.0
CB A:HIS130 4.7 65.5 1.0
CA A:ALA127 4.7 64.5 1.0
N A:GLN167 4.8 62.1 1.0
N A:HIS130 4.8 62.4 1.0
N A:ALA127 4.8 64.4 1.0
C A:CYS165 4.9 66.7 1.0
CB A:HIS164 4.9 70.8 1.0
C A:CYS125 4.9 57.6 1.0
N A:GLY166 5.0 65.3 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: Sat Aug 3 17:44:08 2024

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