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Iron in PDB 4hsl: 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans

Enzymatic activity of 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans

All present enzymatic activity of 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans:
1.13.11.6;

Protein crystallography data

The structure of 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans, PDB code: 4hsl was solved by F.Liu, L.Chen, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.19 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.461, 58.461, 232.190, 90.00, 90.00, 120.00
R / Rfree (%) 22.3 / 27.5

Iron Binding Sites:

The binding sites of Iron atom in the 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans (pdb code 4hsl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans, PDB code: 4hsl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4hsl

Go back to Iron Binding Sites List in 4hsl
Iron binding site 1 out of 2 in the 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:0.1
occ:1.00
 O11 A:3HA203 1.7 71.0 1.0
ND1 A:HIS51 2.4 37.2 1.0
NE2 A:HIS95 2.4 29.2 1.0
C4 A:3HA203 2.6 62.5 1.0
N10 A:3HA203 3.1 53.3 1.0
C3 A:3HA203 3.1 51.5 1.0
OE2 A:GLU57 3.1 37.4 1.0
OE1 A:GLU57 3.2 46.2 1.0
CD2 A:HIS95 3.2 29.6 1.0
CG A:HIS51 3.3 32.6 1.0
CE1 A:HIS51 3.3 34.8 1.0
CE1 A:HIS95 3.4 29.6 1.0
CB A:HIS51 3.5 34.2 1.0
CD A:GLU57 3.6 40.4 1.0
C5 A:3HA203 3.7 52.2 1.0
CG A:HIS95 4.4 29.1 1.0
CD2 A:HIS51 4.4 35.1 1.0
NE2 A:HIS51 4.4 37.6 1.0
ND1 A:HIS95 4.4 30.0 1.0
C2 A:3HA203 4.5 47.2 1.0
C6 A:3HA203 4.8 54.2 1.0
NH2 A:ARG47 4.8 44.1 1.0
CG A:PRO97 4.9 34.3 1.0
CA A:HIS51 5.0 31.5 1.0

Iron binding site 2 out of 2 in 4hsl

Go back to Iron Binding Sites List in 4hsl
Iron binding site 2 out of 2 in the 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3- Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:52.0
occ:1.00
 SG A:CYS128 2.1 65.0 1.0
SG A:CYS125 2.2 50.5 1.0
SG A:CYS162 2.3 50.6 1.0
SG A:CYS165 2.4 66.8 1.0
CB A:CYS125 2.9 44.0 1.0
CB A:CYS162 3.1 44.3 1.0
CB A:CYS128 3.3 60.6 1.0
CB A:CYS165 3.3 65.0 1.0
N A:CYS128 3.5 59.2 1.0
N A:CYS165 3.9 68.9 1.0
CA A:CYS128 3.9 55.0 1.0
CA A:CYS165 4.2 67.9 1.0
CA A:CYS125 4.4 44.7 1.0
CB A:GLN167 4.5 66.8 1.0
CB A:ALA127 4.6 64.1 1.0
C A:CYS128 4.6 61.8 1.0
CA A:CYS162 4.6 45.7 1.0
C A:ALA127 4.6 63.7 1.0
N A:GLY129 4.7 65.3 1.0
CB A:HIS164 4.7 81.9 1.0
C A:CYS165 4.7 64.8 1.0
CB A:HIS130 4.8 70.8 1.0
N A:HIS130 4.8 55.4 1.0
C A:HIS164 4.9 70.0 1.0
CA A:ALA127 5.0 65.8 1.0
N A:GLY166 5.0 62.0 1.0
N A:GLN167 5.0 55.4 1.0
N A:ALA127 5.0 70.9 1.0
C A:CYS125 5.0 48.4 1.0

Reference:

F.Liu, L.Chen, A.Liu. 2.00 Angstrom X-Ray Crystal Structure of Substrate-Bound E110A 3-Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans To Be Published.
Page generated: Tue Aug 5 11:08:50 2025

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