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Chlorine 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:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was 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:

Chlorine binding site 1 out of 1 in 1yfw

Go back to Chlorine Binding Sites List in 1yfw
Chlorine binding site 1 out of 1 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 Chlorine with other atoms in the Cl 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:Cl401

b:43.2
occ:1.00
 CLAE A:4AA401 0.0 43.2 1.0
CAJ A:4AA401 1.7 44.4 1.0
CAK A:4AA401 2.7 43.5 1.0
CAF A:4AA401 2.7 44.8 1.0
OAD A:4AA401 2.9 43.7 1.0
CB A:ILE142 3.3 63.8 1.0
CG2 A:ILE142 3.6 64.7 1.0
CD2 A:LEU146 3.7 62.5 1.0
CAI A:4AA401 4.0 44.4 1.0
CAG A:4AA401 4.0 45.6 1.0
OE2 A:GLU110 4.0 44.9 1.0
CE1 A:HIS51 4.1 42.3 1.0
OE1 A:GLU110 4.2 45.5 1.0
ND1 A:HIS51 4.3 44.5 1.0
CD1 A:ILE142 4.3 64.4 1.0
CA A:ILE142 4.3 63.7 1.0
CG1 A:ILE142 4.3 63.1 1.0
O A:ILE142 4.3 64.3 1.0
O A:HOH486 4.4 53.8 1.0
FE A:FE300 4.5 42.7 1.0
CD1 A:LEU146 4.5 60.3 1.0
CD A:GLU110 4.5 46.4 1.0
CAL A:4AA401 4.5 44.3 1.0
O2 A:OXY310 4.5 53.9 1.0
O1 A:OXY310 4.6 60.4 1.0
CG A:LEU146 4.7 62.3 1.0
C A:ILE142 4.8 63.8 1.0
ND2 A:ASN27 4.8 57.6 1.0
CD2 A:LEU139 4.9 58.4 1.0
NE2 A:HIS51 5.0 46.1 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: Thu Jul 10 20:34:49 2025

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