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Iron in PDB 28mb: Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions

Enzymatic activity of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions

All present enzymatic activity of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions:
1.2.3.1;

Protein crystallography data

The structure of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions, PDB code: 28mb was solved by C.Videira, M.Esmaeeli, S.Leimkuhler, M.J.Romao, C.Mota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.60 / 2.31
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 191.204, 273.118, 77.883, 90, 90, 90
R / Rfree (%) 20.9 / 24.1

Other elements in 28mb:

The structure of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions also contains other interesting chemical elements:

Molybdenum (Mo) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions (pdb code 28mb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions, PDB code: 28mb:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 28mb

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Iron binding site 1 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1401

b:38.0
occ:1.00
 FE1 A:FES1401 0.0 38.0 1.0
S2 A:FES1401 2.2 39.4 1.0
S1 A:FES1401 2.2 38.9 1.0
SG A:CYS52 2.4 23.4 1.0
SG A:CYS74 2.6 22.5 1.0
FE2 A:FES1401 2.7 39.9 1.0
CB A:CYS74 3.4 22.6 1.0
CB A:CYS52 3.6 23.1 1.0
N A:CYS52 4.3 23.5 1.0
N A:GLY45 4.3 32.8 1.0
N A:GLY47 4.3 34.5 1.0
CB A:ASN72 4.4 23.9 1.0
OD1 A:ASN72 4.5 26.9 1.0
CA A:GLY45 4.5 34.2 1.0
N A:CYS74 4.5 22.2 1.0
CA A:CYS52 4.6 22.9 1.0
CG A:ASN72 4.6 25.4 1.0
CA A:CYS74 4.6 22.5 1.0
CA A:GLY47 4.6 34.4 1.0
N A:GLY46 4.7 35.9 1.0
SG A:CYS49 4.9 32.6 1.0
C A:GLY45 4.9 35.7 1.0
N A:ALA51 5.0 25.1 1.0

Iron binding site 2 out of 8 in 28mb

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Iron binding site 2 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1401

b:39.9
occ:1.00
 FE2 A:FES1401 0.0 39.9 1.0
S2 A:FES1401 2.2 39.4 1.0
S1 A:FES1401 2.2 38.9 1.0
SG A:CYS49 2.4 32.6 1.0
FE1 A:FES1401 2.7 38.0 1.0
SG A:CYS44 3.1 28.7 1.0
N A:CYS44 3.5 28.8 1.0
N A:CYS49 3.6 31.4 1.0
CB A:CYS49 3.7 31.6 1.0
N A:GLY45 3.8 32.8 1.0
N A:GLY50 3.9 27.6 1.0
CA A:CYS49 4.1 30.8 1.0
CB A:CYS44 4.2 29.2 1.0
CA A:CYS44 4.2 29.7 1.0
CA A:GLY43 4.3 27.0 1.0
C A:GLY43 4.3 27.5 1.0
N A:ALA51 4.3 25.1 1.0
C A:CYS49 4.3 29.3 1.0
N A:GLY43 4.3 26.4 1.0
N A:GLY48 4.3 33.5 1.0
C A:CYS44 4.4 31.0 1.0
N A:GLY47 4.5 34.5 1.0
SG A:CYS52 4.7 23.4 1.0
N A:GLY46 4.7 35.9 1.0
CB A:ALA51 4.8 24.7 1.0
C A:GLY48 4.8 32.0 1.0
CA A:GLY45 4.8 34.2 1.0
C A:GLY47 4.8 34.2 1.0
SG A:CYS74 4.9 22.5 1.0
CA A:GLY50 4.9 26.6 1.0
CA A:GLY47 4.9 34.4 1.0
N A:CYS52 5.0 23.5 1.0

Iron binding site 3 out of 8 in 28mb

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Iron binding site 3 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1402

b:16.5
occ:1.00
 FE1 A:FES1402 0.0 16.5 1.0
S1 A:FES1402 2.2 16.8 1.0
S2 A:FES1402 2.2 16.4 1.0
SG A:CYS149 2.2 18.9 1.0
SG A:CYS117 2.3 19.2 1.0
FE2 A:FES1402 2.7 17.8 1.0
CB A:CYS117 3.3 19.1 1.0
CB A:CYS149 3.3 19.2 1.0
CA A:CYS149 3.7 19.2 1.0
N A:CYS117 4.1 19.0 1.0
N A:ARG150 4.1 19.0 1.0
CA A:CYS117 4.3 19.3 1.0
C A:CYS149 4.4 19.1 1.0
N A:CYS151 4.4 19.4 1.0
SG A:CYS114 4.5 15.7 1.0
CB A:CYS151 4.5 19.6 1.0
CG2 A:THR152 4.6 22.3 1.0
SG A:CYS151 4.7 19.4 1.0
O A:LEU148 4.8 19.5 1.0
N A:CYS149 4.9 19.6 1.0
N A:PHE116 5.0 17.3 1.0
N A:GLY115 5.0 16.2 1.0

Iron binding site 4 out of 8 in 28mb

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Iron binding site 4 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1402

b:17.8
occ:1.00
 FE2 A:FES1402 0.0 17.8 1.0
S2 A:FES1402 2.2 16.4 1.0
S1 A:FES1402 2.2 16.8 1.0
SG A:CYS114 2.3 15.7 1.0
SG A:CYS151 2.5 19.4 1.0
FE1 A:FES1402 2.7 16.5 1.0
CB A:CYS151 3.3 19.6 1.0
CB A:CYS114 3.5 15.9 1.0
N A:CYS114 3.8 16.5 1.0
N A:GLY115 4.1 16.2 1.0
CA A:CYS114 4.1 16.2 1.0
N A:CYS151 4.1 19.4 1.0
SG A:CYS149 4.1 18.9 1.0
CA A:CYS151 4.3 19.5 1.0
C A:CYS114 4.5 16.1 1.0
N A:ARG150 4.6 19.0 1.0
N A:PHE116 4.6 17.3 1.0
SG A:CYS117 4.7 19.2 1.0
C A:GLN113 5.0 16.9 1.0

Iron binding site 5 out of 8 in 28mb

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Iron binding site 5 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1401

b:40.4
occ:1.00
 FE1 B:FES1401 0.0 40.4 1.0
SG B:CYS52 2.2 18.6 1.0
S2 B:FES1401 2.2 39.8 1.0
S1 B:FES1401 2.2 38.0 1.0
SG B:CYS74 2.7 23.1 1.0
FE2 B:FES1401 2.7 39.9 1.0
CB B:CYS74 3.5 21.9 1.0
CB B:CYS52 3.6 18.6 1.0
CB B:ASN72 4.3 20.1 1.0
N B:CYS52 4.3 19.4 1.0
OD1 B:ASN72 4.4 21.0 1.0
N B:GLY45 4.4 35.6 1.0
N B:GLY47 4.4 34.2 1.0
N B:CYS74 4.5 20.7 1.0
CG B:ASN72 4.5 21.0 1.0
CA B:CYS52 4.5 18.8 1.0
CA B:GLY45 4.6 36.5 1.0
CA B:CYS74 4.6 21.2 1.0
CA B:GLY47 4.7 33.8 1.0
SG B:CYS49 4.8 25.4 1.0
N B:GLY46 4.8 37.0 1.0
C B:GLY45 5.0 37.3 1.0

Iron binding site 6 out of 8 in 28mb

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Iron binding site 6 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1401

b:39.9
occ:1.00
 FE2 B:FES1401 0.0 39.9 1.0
S1 B:FES1401 2.2 38.0 1.0
S2 B:FES1401 2.2 39.8 1.0
SG B:CYS49 2.4 25.4 1.0
FE1 B:FES1401 2.7 40.4 1.0
SG B:CYS44 3.1 35.0 1.0
N B:CYS44 3.4 31.6 1.0
N B:GLY45 3.7 35.6 1.0
N B:CYS49 3.7 26.4 1.0
CB B:CYS49 3.8 25.7 1.0
N B:GLY50 4.1 23.9 1.0
CA B:CYS44 4.1 33.1 1.0
CA B:CYS49 4.2 25.6 1.0
CB B:CYS44 4.2 33.4 1.0
CA B:GLY43 4.2 28.0 1.0
C B:GLY43 4.2 29.9 1.0
N B:GLY43 4.3 26.4 1.0
N B:GLY48 4.3 32.2 1.0
C B:CYS44 4.4 34.6 1.0
N B:ALA51 4.4 21.3 1.0
C B:CYS49 4.5 24.9 1.0
SG B:CYS52 4.5 18.6 1.0
N B:GLY47 4.6 34.2 1.0
N B:GLY46 4.7 37.0 1.0
CA B:GLY45 4.7 36.5 1.0
CB B:ALA51 4.8 20.7 1.0
C B:GLY48 4.8 28.4 1.0
SG B:CYS74 4.9 23.1 1.0
C B:GLY47 4.9 33.5 1.0
CA B:GLY47 5.0 33.8 1.0

Iron binding site 7 out of 8 in 28mb

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Iron binding site 7 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1402

b:18.5
occ:1.00
 FE1 B:FES1402 0.0 18.5 1.0
SG B:CYS114 2.1 16.3 1.0
S2 B:FES1402 2.2 18.8 1.0
S1 B:FES1402 2.2 17.7 1.0
SG B:CYS151 2.6 16.0 1.0
FE2 B:FES1402 2.6 16.5 1.0
CB B:CYS151 3.3 16.2 1.0
CB B:CYS114 3.3 16.1 1.0
N B:CYS114 3.7 15.7 1.0
N B:GLY115 3.9 16.2 1.0
CA B:CYS114 3.9 16.0 1.0
N B:CYS151 4.2 16.6 1.0
SG B:CYS149 4.3 15.7 1.0
CA B:CYS151 4.3 16.5 1.0
C B:CYS114 4.3 16.1 1.0
N B:PHE116 4.5 16.5 1.0
SG B:CYS117 4.7 19.9 1.0
N B:ARG150 4.7 16.4 1.0
C B:GLN113 4.8 15.3 1.0
CB B:GLN113 4.9 14.9 1.0
CA B:GLY115 5.0 16.4 1.0
N B:CYS117 5.0 18.0 1.0

Iron binding site 8 out of 8 in 28mb

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Iron binding site 8 out of 8 in the Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Human Aldehyde Oxidase Under Tcep-Reducing Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1402

b:16.5
occ:1.00
 FE2 B:FES1402 0.0 16.5 1.0
S1 B:FES1402 2.2 17.7 1.0
S2 B:FES1402 2.2 18.8 1.0
SG B:CYS117 2.3 19.9 1.0
SG B:CYS149 2.4 15.7 1.0
FE1 B:FES1402 2.6 18.5 1.0
CB B:CYS117 3.2 18.7 1.0
CB B:CYS149 3.4 15.9 1.0
CA B:CYS149 3.7 16.1 1.0
N B:CYS117 4.0 18.0 1.0
N B:ARG150 4.0 16.4 1.0
CA B:CYS117 4.2 18.4 1.0
C B:CYS149 4.3 16.4 1.0
N B:CYS151 4.3 16.6 1.0
CB B:CYS151 4.4 16.2 1.0
SG B:CYS114 4.4 16.3 1.0
SG B:CYS151 4.7 16.0 1.0
CG2 B:THR152 4.7 17.5 1.0
O B:LEU148 4.8 16.5 1.0
N B:PHE116 4.9 16.5 1.0
N B:CYS149 4.9 16.3 1.0
CA B:CYS151 5.0 16.5 1.0
N B:GLY115 5.0 16.2 1.0
C B:CYS117 5.0 18.7 1.0

Reference:

C.Videira, M.Esmaeeli, S.Leimkuhler, M.J.Romao, C.Mota. Structure of Human Aldehyde Oxidase Under Tris(2-Carboxyethyl)Phosphine Reducing Conditions Acta Cryst. F 2026.
DOI: 10.1107/S2053230X26006904
Page generated: Sun Oct 4 09:34:29 2026

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