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Iron in PDB 4i3p: 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans

Enzymatic activity of 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans

All present enzymatic activity of 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans:
1.13.11.6;

Protein crystallography data

The structure of 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans, PDB code: 4i3p was solved by F.Liu, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.24 / 1.96
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.823, 58.823, 231.257, 90.00, 90.00, 120.00
R / Rfree (%) 23.4 / 27.5

Iron Binding Sites:

The binding sites of Iron atom in the 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans (pdb code 4i3p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans, PDB code: 4i3p:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4i3p

Go back to Iron Binding Sites List in 4i3p
Iron binding site 1 out of 2 in the 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:32.6
occ:1.00
 NE2 A:HIS95 2.2 23.1 1.0
OE2 A:GLU57 2.3 28.0 1.0
ND1 A:HIS51 2.3 35.5 1.0
OE1 A:GLU57 2.6 27.8 1.0
C1 A:1CW203 2.6 43.5 1.0
CD A:GLU57 2.8 28.5 1.0
C A:1CW203 2.9 51.0 1.0
N A:1CW203 3.0 51.9 1.0
CE1 A:HIS95 3.0 26.8 1.0
CE1 A:HIS51 3.2 34.6 1.0
CD2 A:HIS95 3.3 27.7 1.0
CG A:HIS51 3.3 33.6 1.0
C2 A:1CW203 3.5 49.8 1.0
CB A:HIS51 3.6 31.6 1.0
C6 A:1CW203 4.0 54.7 1.0
ND1 A:HIS95 4.2 26.4 1.0
CG A:GLU57 4.3 26.8 1.0
CG A:HIS95 4.3 26.6 1.0
NE2 A:HIS51 4.4 33.4 1.0
CD2 A:HIS51 4.4 32.5 1.0
C3 A:1CW203 4.4 47.5 1.0
OD2 A:ASP53 4.6 32.5 1.0
C4 A:1CW203 4.6 50.1 1.0
CB A:ASP53 4.8 35.2 1.0
O2 A:1CW203 4.8 57.1 1.0
OE1 A:GLU110 4.9 48.2 1.0

Iron binding site 2 out of 2 in 4i3p

Go back to Iron Binding Sites List in 4i3p
Iron binding site 2 out of 2 in the 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:42.8
occ:1.00
 SG A:CYS162 2.5 48.0 1.0
SG A:CYS165 2.5 45.5 1.0
SG A:CYS128 2.6 54.8 1.0
SG A:CYS125 2.6 44.4 1.0
CB A:CYS125 3.1 42.8 1.0
CB A:CYS162 3.2 43.1 1.0
CB A:CYS165 3.4 47.1 1.0
CB A:CYS128 3.6 50.6 1.0
N A:CYS128 3.8 42.0 1.0
N A:CYS165 3.9 50.1 1.0
CA A:CYS165 4.2 52.5 1.0
CA A:CYS128 4.2 44.9 1.0
CB A:ALA127 4.5 46.5 1.0
CB A:HIS164 4.6 55.4 1.0
CA A:CYS125 4.7 40.0 1.0
O A:HOH303 4.7 38.6 1.0
CA A:CYS162 4.7 41.6 1.0
C A:CYS165 4.7 52.2 1.0
CB A:HIS130 4.7 48.3 1.0
CB A:GLN167 4.8 46.3 1.0
N A:GLY129 4.8 46.6 1.0
C A:CYS128 4.8 47.1 1.0
N A:GLY166 4.8 48.0 1.0
C A:HIS164 4.9 54.5 1.0
C A:ALA127 4.9 48.9 1.0
N A:HIS130 4.9 43.2 1.0
N A:GLN167 5.0 45.3 1.0

Reference:

F.Liu, A.Liu. 1.96 Angstrom X-Ray Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase Bound with 3-Aminosalicylic Acid From Cupraavidus Metallidurans To Be Published.
Page generated: Tue Aug 5 11:11:11 2025

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